ethyl 5-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-1-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-1-phenylpyrazole-4-carboxylate Traditional Name: 5-[[(E)-3-(3-nitrophenyl)acryloyl]amino]-1-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C21H18N4O5 MolecularWeight: 406.39142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O5/c1-2-30-21(27)18-14-22-24(16-8-4-3-5-9-16)20(18)23-19(26)12-11-15-7-6-10-17(13-15)25(28)29/h3-14H,2H2,1H3,(H,23,26)/b12-11+