[(Z)-[1-azanyl-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethylidene]amino] benzoate

Systemtic Name: [(Z)-[1-azanyl-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethylidene]amino] benzoate Openeye Name: [(Z)-[1-amino-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethylidene]amino] benzoate CAS Name: benzoic acid [(Z)-[1-amino-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)ethylidene]amino] ester IUPAC Name: [(Z)-[1-amino-2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethylidene]amino] benzoate Traditional Name: benzoic acid [(Z)-[1-amino-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethylidene]amino] ester Formula: C14H15N5O4 MolecularWeight: 317.3

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=NOC(=O)C2=CC=CC=C2)N)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C/C(=N/OC(=O)C2=CC=CC=C2)/N)C)[N+](=O)[O-]

InChI

InChI=1S/C14H15N5O4/c1-9-13(19(21)22)10(2)18(16-9)8-12(15)17-23-14(20)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H2,15,17)