ethyl 5-[(E)-dimethylaminomethylideneamino]-1-(4-nitrophenyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[(E)-dimethylaminomethylideneamino]-1-(4-nitrophenyl)pyrazole-4-carboxylate Openeye Name: ethyl 5-[(E)-dimethylaminomethyleneamino]-1-(4-nitrophenyl)pyrazole-4-carboxylate CAS Name: 5-[(E)-dimethylaminomethylideneamino]-1-(4-nitrophenyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(E)-dimethylaminomethylideneamino]-1-(4-nitrophenyl)pyrazole-4-carboxylate Traditional Name: 5-[(E)-dimethylaminomethyleneamino]-1-(4-nitrophenyl)pyrazole-4-carboxylic acid ethyl ester Formula: C15H17N5O4 MolecularWeight: 331.32658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)[N+](=O)[O-])N=CN(C)C

Isomeric SMILES

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

InChI

InChI=1S/C15H17N5O4/c1-4-24-15(21)13-9-17-19(14(13)16-10-18(2)3)11-5-7-12(8-6-11)20(22)23/h5-10H,4H2,1-3H3/b16-10+