3-(3',3'-dimethyl-6-nitro-spiro[chromene-2,2'-indole]-1'-yl)propanoyl 3-(3',3'-dimethyl-6-nitro-spiro[chromene-2,2'-indole]-1'-yl)propanoate

Systemtic Name: 3-(3',3'-dimethyl-6-nitro-spiro[chromene-2,2'-indole]-1'-yl)propanoyl 3-(3',3'-dimethyl-6-nitro-spiro[chromene-2,2'-indole]-1'-yl)propanoate Openeye Name: 3-(3',3'-dimethyl-6-nitro-spiro[chromene-2,2'-indoline]-1'-yl)propanoyl 3-(3',3'-dimethyl-6-nitro-spiro[chromene-2,2'-indoline]-1'-yl)propanoate CAS Name: 3-(3',3'-dimethyl-6-nitro-1'-spiro[1-benzopyran-2,2'-indole]yl)propanoic acid [3-(3',3'-dimethyl-6-nitro-1'-spiro[1-benzopyran-2,2'-indole]yl)-1-oxopropyl] ester IUPAC Name: 3-(3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)propanoyl 3-(3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)propanoate Traditional Name: 3-(3',3'-dimethyl-6-nitro-spiro[chromene-2,2'-indoline]-1'-yl)propionic acid 3-(3',3'-dimethyl-6-nitro-spiro[chromene-2,2'-indoline]-1'-yl)propanoyl ester Formula: C42H38N4O9 MolecularWeight: 742.77252

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2N(C13C=CC4=C(O3)C=CC(=C4)[N+](=O)[O-])CCC(=O)OC(=O)CCN5C6=CC=CC=C6C(C57C=CC8=C(O7)C=CC(=C8)[N+](=O)[O-])(C)C)C

Isomeric SMILES

CC1(C2=CC=CC=C2N(C13C=CC4=C(O3)C=CC(=C4)[N+](=O)[O-])CCC(=O)OC(=O)CCN5C6=CC=CC=C6C(C57C=CC8=C(O7)C=CC(=C8)[N+](=O)[O-])(C)C)C

InChI

InChI=1S/C42H38N4O9/c1-39(2)31-9-5-7-11-33(31)43(41(39)21-17-27-25-29(45(49)50)13-15-35(27)54-41)23-19-37(47)53-38(48)20-24-44-34-12-8-6-10-32(34)40(3,4)42(44)22-18-28-26-30(46(51)52)14-16-36(28)55-42/h5-18,21-22,25-26H,19-20,23-24H2,1-4H3