4-azanyl-2-(6-bromanyl-5-methoxy-2-nitro-cyclohexa-2,4-dien-1-yl)-4-(phenylmethyl)cyclohexan-1-one

Systemtic Name: 4-azanyl-2-(6-bromanyl-5-methoxy-2-nitro-cyclohexa-2,4-dien-1-yl)-4-(phenylmethyl)cyclohexan-1-one Openeye Name: 4-amino-4-benzyl-2-(6-bromo-5-methoxy-2-nitro-cyclohexa-2,4-dien-1-yl)cyclohexanone CAS Name: 4-amino-2-(6-bromo-5-methoxy-2-nitro-1-cyclohexa-2,4-dienyl)-4-(phenylmethyl)-1-cyclohexanone IUPAC Name: 4-amino-4-benzyl-2-(6-bromo-5-methoxy-2-nitrocyclohexa-2,4-dien-1-yl)cyclohexan-1-one Traditional Name: 4-amino-4-benzyl-2-(6-bromo-5-methoxy-2-nitro-cyclohexa-2,4-dien-1-yl)cyclohexanone Formula: C20H23BrN2O4 MolecularWeight: 435.31162

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C(C1Br)C2CC(CCC2=O)(CC3=CC=CC=C3)N)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C(C1Br)C2CC(CCC2=O)(CC3=CC=CC=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C20H23BrN2O4/c1-27-17-8-7-15(23(25)26)18(19(17)21)14-12-20(22,10-9-16(14)24)11-13-5-3-2-4-6-13/h2-8,14,18-19H,9-12,22H2,1H3