2-chloranyl-1-methyl-7-nitro-6-(phenylmethyl)-5a,11-dihydrochromeno[2,3-b][1,5]benzodiazepin-13-one

Systemtic Name: 2-chloranyl-1-methyl-7-nitro-6-(phenylmethyl)-5a,11-dihydrochromeno[2,3-b][1,5]benzodiazepin-13-one Openeye Name: 6-benzyl-2-chloro-1-methyl-7-nitro-5a,11-dihydrochromeno[2,3-b][1,5]benzodiazepin-13-one CAS Name: 2-chloro-1-methyl-7-nitro-6-(phenylmethyl)-5a,11-dihydro[1]benzopyrano[2,3-b][1,5]benzodiazepin-13-one IUPAC Name: 6-benzyl-2-chloro-1-methyl-7-nitro-5a,11-dihydrochromeno[2,3-b][1,5]benzodiazepin-13-one Traditional Name: 6-benzyl-2-chloro-1-methyl-7-nitro-5a,11-dihydrochromeno[2,3-b][1,5]benzodiazepin-13-one Formula: C24H18ClN3O4 MolecularWeight: 447.87042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C(=O)C3=CNC4=C(C(=CC=C4)[N+](=O)[O-])N(C3O2)CC5=CC=CC=C5)Cl

Isomeric SMILES

CC1=C(C=CC2=C1C(=O)C3=CNC4=C(C(=CC=C4)[N+](=O)[O-])N(C3O2)CC5=CC=CC=C5)Cl

InChI

InChI=1S/C24H18ClN3O4/c1-14-17(25)10-11-20-21(14)23(29)16-12-26-18-8-5-9-19(28(30)31)22(18)27(24(16)32-20)13-15-6-3-2-4-7-15/h2-12,24,26H,13H2,1H3