[2-[(4-ethoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-benzamido-3-phenyl-propanoate

Systemtic Name: [2-[(4-ethoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-benzamido-3-phenyl-propanoate Openeye Name: [2-(4-ethoxy-2-nitro-anilino)-2-oxo-ethyl] 2-benzamido-3-phenyl-propanoate CAS Name: 2-benzamido-3-phenylpropanoic acid [2-(4-ethoxy-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxy-2-nitroanilino)-2-oxoethyl] 2-benzamido-3-phenylpropanoate Traditional Name: 2-benzamido-3-phenyl-propionic acid [2-(4-ethoxy-2-nitro-anilino)-2-keto-ethyl] ester Formula: C26H25N3O7 MolecularWeight: 491.4926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=O)COC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=O)COC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C26H25N3O7/c1-2-35-20-13-14-21(23(16-20)29(33)34)27-24(30)17-36-26(32)22(15-18-9-5-3-6-10-18)28-25(31)19-11-7-4-8-12-19/h3-14,16,22H,2,15,17H2,1H3,(H,27,30)(H,28,31)