9-chloranyl-8-methyl-1-nitro-13-(phenylmethyl)-12a,13-dihydro-8H-chromeno[2,3-b][1,5]benzodiazepin-7-one

Systemtic Name: 9-chloranyl-8-methyl-1-nitro-13-(phenylmethyl)-12a,13-dihydro-8H-chromeno[2,3-b][1,5]benzodiazepin-7-one Openeye Name: 13-benzyl-9-chloro-8-methyl-1-nitro-12a,13-dihydro-8H-chromeno[2,3-b][1,5]benzodiazepin-7-one CAS Name: 9-chloro-8-methyl-1-nitro-13-(phenylmethyl)-12a,13-dihydro-8H-[1]benzopyrano[2,3-b][1,5]benzodiazepin-7-one IUPAC Name: 13-benzyl-9-chloro-8-methyl-1-nitro-12a,13-dihydro-8H-chromeno[2,3-b][1,5]benzodiazepin-7-one Traditional Name: 13-benzyl-9-chloro-8-methyl-1-nitro-12a,13-dihydro-8H-chromeno[2,3-b][1,5]benzodiazepin-7-one Formula: C24H18ClN3O4 MolecularWeight: 447.87042

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=CC2=C(C1=O)N=C3C(C=N2)C(C4=C(C=CC=C4O3)[N+](=O)[O-])CC5=CC=CC=C5)Cl

Isomeric SMILES

CC1C(=CC2=C(C1=O)N=C3C(C=N2)C(C4=C(C=CC=C4O3)[N+](=O)[O-])CC5=CC=CC=C5)Cl

InChI

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