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

Systemtic Name: 2-chloranyl-7-nitro-6-(phenylmethyl)-5a,11-dihydrochromeno[2,3-b][1,5]benzodiazepin-13-one Openeye Name: 6-benzyl-2-chloro-7-nitro-5a,11-dihydrochromeno[2,3-b][1,5]benzodiazepin-13-one CAS Name: 2-chloro-7-nitro-6-(phenylmethyl)-5a,11-dihydro[1]benzopyrano[2,3-b][1,5]benzodiazepin-13-one IUPAC Name: 6-benzyl-2-chloro-7-nitro-5a,11-dihydrochromeno[2,3-b][1,5]benzodiazepin-13-one Traditional Name: 6-benzyl-2-chloro-7-nitro-5a,11-dihydrochromeno[2,3-b][1,5]benzodiazepin-13-one Formula: C23H16ClN3O4 MolecularWeight: 433.84384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3C(=CNC4=C2C(=CC=C4)[N+](=O)[O-])C(=O)C5=C(O3)C=CC(=C5)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C3C(=CNC4=C2C(=CC=C4)[N+](=O)[O-])C(=O)C5=C(O3)C=CC(=C5)Cl

InChI

InChI=1S/C23H16ClN3O4/c24-15-9-10-20-16(11-15)22(28)17-12-25-18-7-4-8-19(27(29)30)21(18)26(23(17)31-20)13-14-5-2-1-3-6-14/h1-12,23,25H,13H2