[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoate Openeye Name: [1-methyl-2-(3-nitroanilino)-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 [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] (E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-diphenylpyrazol-4-yl)acrylic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C27H22N4O5 MolecularWeight: 482.48738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C=CC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)/C=C/C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H22N4O5/c1-19(27(33)28-22-11-8-14-24(17-22)31(34)35)36-25(32)16-15-21-18-30(23-12-6-3-7-13-23)29-26(21)20-9-4-2-5-10-20/h2-19H,1H3,(H,28,33)/b16-15+