(7-ethanoylimino-2-oxidanyl-5,6,8,8a-tetrahydrochromen-4-yl)methyl 5-nitro-2-[(phenylmethyl)amino]benzoate

Systemtic Name: (7-ethanoylimino-2-oxidanyl-5,6,8,8a-tetrahydrochromen-4-yl)methyl 5-nitro-2-[(phenylmethyl)amino]benzoate Openeye Name: (7-acetylimino-2-hydroxy-5,6,8,8a-tetrahydrochromen-4-yl)methyl 2-(benzylamino)-5-nitro-benzoate CAS Name: 5-nitro-2-[(phenylmethyl)amino]benzoic acid (7-acetylimino-2-hydroxy-5,6,8,8a-tetrahydro-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-acetylimino-2-hydroxy-5,6,8,8a-tetrahydrochromen-4-yl)methyl 2-(benzylamino)-5-nitrobenzoate Traditional Name: 2-(benzylamino)-5-nitro-benzoic acid (7-acetylimino-2-hydroxy-5,6,8,8a-tetrahydrochromen-4-yl)methyl ester Formula: C26H25N3O7 MolecularWeight: 491.4926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N=C1CCC2=C(C=C(OC2C1)O)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NCC4=CC=CC=C4

Isomeric SMILES

CC(=O)N=C1CCC2=C(C=C(OC2C1)O)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NCC4=CC=CC=C4

InChI

InChI=1S/C26H25N3O7/c1-16(30)28-19-7-9-21-18(11-25(31)36-24(21)12-19)15-35-26(32)22-13-20(29(33)34)8-10-23(22)27-14-17-5-3-2-4-6-17/h2-6,8,10-11,13,24,27,31H,7,9,12,14-15H2,1H3