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

Systemtic Name: ethyl 5-methyl-1-[4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-methyl-1-[4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]phenyl]pyrazole-4-carboxylate CAS Name: 5-methyl-1-[4-[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-1-[4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]phenyl]pyrazole-4-carboxylate Traditional Name: 5-methyl-1-[4-[[(E)-3-(3-nitrophenyl)acryloyl]amino]phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C22H20N4O5 MolecularWeight: 420.418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4O5/c1-3-31-22(28)20-14-23-25(15(20)2)18-10-8-17(9-11-18)24-21(27)12-7-16-5-4-6-19(13-16)26(29)30/h4-14H,3H2,1-2H3,(H,24,27)/b12-7+