methyl (4Z)-4-ethylidene-5-[(4-nitrophenyl)methyl]-3H-pyrazole-5-carboxylate

Systemtic Name: methyl (4Z)-4-ethylidene-5-[(4-nitrophenyl)methyl]-3H-pyrazole-5-carboxylate Openeye Name: methyl (4Z)-4-ethylidene-5-[(4-nitrophenyl)methyl]-3H-pyrazole-5-carboxylate CAS Name: (4Z)-4-ethylidene-5-[(4-nitrophenyl)methyl]-3H-pyrazole-5-carboxylic acid methyl ester IUPAC Name: methyl (4Z)-4-ethylidene-5-[(4-nitrophenyl)methyl]-3H-pyrazole-5-carboxylate Traditional Name: (4Z)-4-ethylidene-3-(4-nitrobenzyl)-1-pyrazoline-3-carboxylic acid methyl ester Formula: C14H15N3O4 MolecularWeight: 289.2866

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Descriptors Computed from Structure

Canonical SMILES:

CC=C1CN=NC1(CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

C/C=C\1/CN=NC1(CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C14H15N3O4/c1-3-11-9-15-16-14(11,13(18)21-2)8-10-4-6-12(7-5-10)17(19)20/h3-7H,8-9H2,1-2H3/b11-3-