1-[7-bromanyl-8-methoxy-4-methyl-1-(4-nitrophenyl)-2,3-benzodiazepin-3-yl]propan-1-one

Systemtic Name: 1-[7-bromanyl-8-methoxy-4-methyl-1-(4-nitrophenyl)-2,3-benzodiazepin-3-yl]propan-1-one Openeye Name: 1-[7-bromo-8-methoxy-4-methyl-1-(4-nitrophenyl)-2,3-benzodiazepin-3-yl]propan-1-one CAS Name: 1-[7-bromo-8-methoxy-4-methyl-1-(4-nitrophenyl)-2,3-benzodiazepin-3-yl]-1-propanone IUPAC Name: 1-[7-bromo-8-methoxy-4-methyl-1-(4-nitrophenyl)-2,3-benzodiazepin-3-yl]propan-1-one Traditional Name: 1-[7-bromo-8-methoxy-4-methyl-1-(4-nitrophenyl)-2,3-benzodiazepin-3-yl]propan-1-one Formula: C20H18BrN3O4 MolecularWeight: 444.27862

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C(=CC2=CC(=C(C=C2C(=N1)C3=CC=C(C=C3)[N+](=O)[O-])OC)Br)C

Isomeric SMILES

CCC(=O)N1C(=CC2=CC(=C(C=C2C(=N1)C3=CC=C(C=C3)[N+](=O)[O-])OC)Br)C

InChI

InChI=1S/C20H18BrN3O4/c1-4-19(25)23-12(2)9-14-10-17(21)18(28-3)11-16(14)20(22-23)13-5-7-15(8-6-13)24(26)27/h5-11H,4H2,1-3H3