[(3-cyano-4-phenyl-phenyl)methyl-pentanoyl-amino] 3-nitrobenzoate

Systemtic Name: [(3-cyano-4-phenyl-phenyl)methyl-pentanoyl-amino] 3-nitrobenzoate Openeye Name: [(3-cyano-4-phenyl-phenyl)methyl-pentanoyl-amino] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [(3-cyano-4-phenylphenyl)methyl-(1-oxopentyl)amino] ester IUPAC Name: [(3-cyano-4-phenylphenyl)methyl-pentanoylamino] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [(3-cyano-4-phenyl-benzyl)-valeryl-amino] ester Formula: C26H23N3O5 MolecularWeight: 457.47792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CC1=CC(=C(C=C1)C2=CC=CC=C2)C#N)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCC(=O)N(CC1=CC(=C(C=C1)C2=CC=CC=C2)C#N)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

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