phenyl 2-[2-[[4-cyano-2-(5-methoxy-2-nitro-4-phenylmethoxy-phenyl)phenyl]amino]ethanoylamino]ethanoate

Systemtic Name: phenyl 2-[2-[[4-cyano-2-(5-methoxy-2-nitro-4-phenylmethoxy-phenyl)phenyl]amino]ethanoylamino]ethanoate Openeye Name: phenyl 2-[[2-[2-(4-benzyloxy-5-methoxy-2-nitro-phenyl)-4-cyano-anilino]acetyl]amino]acetate CAS Name: 2-[[2-[4-cyano-2-(5-methoxy-2-nitro-4-phenylmethoxyphenyl)anilino]-1-oxoethyl]amino]acetic acid phenyl ester IUPAC Name: phenyl 2-[[2-[4-cyano-2-(5-methoxy-2-nitro-4-phenylmethoxyphenyl)anilino]acetyl]amino]acetate Traditional Name: 2-[[2-[2-(4-benzoxy-5-methoxy-2-nitro-phenyl)-4-cyano-anilino]acetyl]amino]acetic acid phenyl ester Formula: C31H26N4O7 MolecularWeight: 566.56074

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C2=C(C=CC(=C2)C#N)NCC(=O)NCC(=O)OC3=CC=CC=C3)[N+](=O)[O-])OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C(=C1)C2=C(C=CC(=C2)C#N)NCC(=O)NCC(=O)OC3=CC=CC=C3)[N+](=O)[O-])OCC4=CC=CC=C4

InChI

InChI=1S/C31H26N4O7/c1-40-28-15-25(27(35(38)39)16-29(28)41-20-21-8-4-2-5-9-21)24-14-22(17-32)12-13-26(24)33-18-30(36)34-19-31(37)42-23-10-6-3-7-11-23/h2-16,33H,18-20H2,1H3,(H,34,36)