[5-(3-ethanoyl-2,4,6-trimethyl-phenyl)-2-[(Z)-N-ethoxy-C-propyl-carbonimidoyl]-3-oxidanylidene-cyclohexen-1-yl] 4-nitrobenzoate

Systemtic Name: [5-(3-ethanoyl-2,4,6-trimethyl-phenyl)-2-[(Z)-N-ethoxy-C-propyl-carbonimidoyl]-3-oxidanylidene-cyclohexen-1-yl] 4-nitrobenzoate Openeye Name: [5-(3-acetyl-2,4,6-trimethyl-phenyl)-2-[(Z)-N-ethoxy-C-propyl-carbonimidoyl]-3-oxo-cyclohexen-1-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [5-(3-acetyl-2,4,6-trimethylphenyl)-2-[(1Z)-1-ethoxyiminobutyl]-3-oxo-1-cyclohexenyl] ester IUPAC Name: [5-(3-acetyl-2,4,6-trimethylphenyl)-2-[(Z)-N-ethoxy-C-propylcarbonimidoyl]-3-oxocyclohexen-1-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [5-(3-acetyl-2,4,6-trimethyl-phenyl)-2-[(Z)-N-ethoxy-C-propyl-carbonimidoyl]-3-keto-cyclohexen-1-yl] ester Formula: C30H34N2O7 MolecularWeight: 534.60016

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=NOCC)C1=C(CC(CC1=O)C2=C(C=C(C(=C2C)C(=O)C)C)C)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC/C(=N/OCC)/C1=C(CC(CC1=O)C2=C(C=C(C(=C2C)C(=O)C)C)C)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C30H34N2O7/c1-7-9-24(31-38-8-2)29-25(34)15-22(28-18(4)14-17(3)27(19(28)5)20(6)33)16-26(29)39-30(35)21-10-12-23(13-11-21)32(36)37/h10-14,22H,7-9,15-16H2,1-6H3/b31-24-