2-chloranyl-1-methyl-9-nitro-6-(phenylmethyl)chromeno[2,3-b][1,5]benzodiazepin-13-one

Systemtic Name: 2-chloranyl-1-methyl-9-nitro-6-(phenylmethyl)chromeno[2,3-b][1,5]benzodiazepin-13-one Openeye Name: 6-benzyl-2-chloro-1-methyl-9-nitro-chromeno[2,3-b][1,5]benzodiazepin-13-one CAS Name: 2-chloro-1-methyl-9-nitro-6-(phenylmethyl)-13-[1]benzopyrano[2,3-b][1,5]benzodiazepinone IUPAC Name: 6-benzyl-2-chloro-1-methyl-9-nitrochromeno[2,3-b][1,5]benzodiazepin-13-one Traditional Name: 6-benzyl-2-chloro-1-methyl-9-nitro-chromeno[2,3-b][1,5]benzodiazepin-13-one Formula: C24H16ClN3O4 MolecularWeight: 445.85454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C(=O)C3=C(O2)N(C4=C(C=C(C=C4)[N+](=O)[O-])N=C3)CC5=CC=CC=C5)Cl

Isomeric SMILES

CC1=C(C=CC2=C1C(=O)C3=C(O2)N(C4=C(C=C(C=C4)[N+](=O)[O-])N=C3)CC5=CC=CC=C5)Cl

InChI

InChI=1S/C24H16ClN3O4/c1-14-18(25)8-10-21-22(14)23(29)17-12-26-19-11-16(28(30)31)7-9-20(19)27(24(17)32-21)13-15-5-3-2-4-6-15/h2-12H,13H2,1H3