[(3-cyano-4-phenyl-phenyl)methylamino] 4-ethyl-3-nitro-2-propanoyl-benzoate

Systemtic Name: [(3-cyano-4-phenyl-phenyl)methylamino] 4-ethyl-3-nitro-2-propanoyl-benzoate Openeye Name: [(3-cyano-4-phenyl-phenyl)methylamino] 4-ethyl-3-nitro-2-propanoyl-benzoate CAS Name: 4-ethyl-3-nitro-2-(1-oxopropyl)benzoic acid [(3-cyano-4-phenylphenyl)methylamino] ester IUPAC Name: [(3-cyano-4-phenylphenyl)methylamino] 4-ethyl-3-nitro-2-propanoylbenzoate Traditional Name: 4-ethyl-3-nitro-2-propionyl-benzoic acid [(3-cyano-4-phenyl-benzyl)amino] ester Formula: C26H23N3O5 MolecularWeight: 457.47792

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1)C(=O)ONCC2=CC(=C(C=C2)C3=CC=CC=C3)C#N)C(=O)CC)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C(=C(C=C1)C(=O)ONCC2=CC(=C(C=C2)C3=CC=CC=C3)C#N)C(=O)CC)[N+](=O)[O-]

InChI

InChI=1S/C26H23N3O5/c1-3-18-11-13-22(24(23(30)4-2)25(18)29(32)33)26(31)34-28-16-17-10-12-21(20(14-17)15-27)19-8-6-5-7-9-19/h5-14,28H,3-4,16H2,1-2H3