[(3-cyano-4-phenyl-phenyl)methylamino] 2-butanoyl-4-methyl-3-nitro-benzoate

Systemtic Name: [(3-cyano-4-phenyl-phenyl)methylamino] 2-butanoyl-4-methyl-3-nitro-benzoate Openeye Name: [(3-cyano-4-phenyl-phenyl)methylamino] 2-butanoyl-4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitro-2-(1-oxobutyl)benzoic acid [(3-cyano-4-phenylphenyl)methylamino] ester IUPAC Name: [(3-cyano-4-phenylphenyl)methylamino] 2-butanoyl-4-methyl-3-nitrobenzoate Traditional Name: 2-butyryl-4-methyl-3-nitro-benzoic acid [(3-cyano-4-phenyl-benzyl)amino] ester Formula: C26H23N3O5 MolecularWeight: 457.47792

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(C=CC(=C1[N+](=O)[O-])C)C(=O)ONCC2=CC(=C(C=C2)C3=CC=CC=C3)C#N

Isomeric SMILES

CCCC(=O)C1=C(C=CC(=C1[N+](=O)[O-])C)C(=O)ONCC2=CC(=C(C=C2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C26H23N3O5/c1-3-7-23(30)24-22(12-10-17(2)25(24)29(32)33)26(31)34-28-16-18-11-13-21(20(14-18)15-27)19-8-5-4-6-9-19/h4-6,8-14,28H,3,7,16H2,1-2H3