[2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoate

Systemtic Name: [2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoate Openeye Name: [2-(2-cyano-4-nitro-anilino)-2-oxo-ethyl] (E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-(1,3-diphenyl-4-pyrazolyl)-2-propenoic acid [2-(2-cyano-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyano-4-nitroanilino)-2-oxoethyl] (E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-diphenylpyrazol-4-yl)acrylic acid [2-(2-cyano-4-nitro-anilino)-2-keto-ethyl] ester Formula: C27H19N5O5 MolecularWeight: 493.47026

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C=CC(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2/C=C/C(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N)C4=CC=CC=C4

InChI

InChI=1S/C27H19N5O5/c28-16-21-15-23(32(35)36)12-13-24(21)29-25(33)18-37-26(34)14-11-20-17-31(22-9-5-2-6-10-22)30-27(20)19-7-3-1-4-8-19/h1-15,17H,18H2,(H,29,33)/b14-11+