[(E)-1-(benzotriazol-1-yl)propan-2-ylideneamino] 1-methyl-4-nitro-pyrazole-3-carboxylate

Systemtic Name: [(E)-1-(benzotriazol-1-yl)propan-2-ylideneamino] 1-methyl-4-nitro-pyrazole-3-carboxylate Openeye Name: [(E)-[2-(benzotriazol-1-yl)-1-methyl-ethylidene]amino] 1-methyl-4-nitro-pyrazole-3-carboxylate CAS Name: 1-methyl-4-nitro-3-pyrazolecarboxylic acid [(E)-1-(1-benzotriazolyl)propan-2-ylideneamino] ester IUPAC Name: [(E)-1-(benzotriazol-1-yl)propan-2-ylideneamino] 1-methyl-4-nitropyrazole-3-carboxylate Traditional Name: 1-methyl-4-nitro-pyrazole-3-carboxylic acid [(E)-[2-(benzotriazol-1-yl)-1-methyl-ethylidene]amino] ester Formula: C14H13N7O4 MolecularWeight: 343.29752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NOC(=O)C1=NN(C=C1[N+](=O)[O-])C)CN2C3=CC=CC=C3N=N2

Isomeric SMILES

C/C(=N\OC(=O)C1=NN(C=C1[N+](=O)[O-])C)/CN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C14H13N7O4/c1-9(7-20-11-6-4-3-5-10(11)15-18-20)17-25-14(22)13-12(21(23)24)8-19(2)16-13/h3-6,8H,7H2,1-2H3/b17-9+