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

Systemtic Name: [(Z)-[1-azanyl-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethylidene]amino] 3-methylbenzoate Openeye Name: [(Z)-[1-amino-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethylidene]amino] 3-methylbenzoate CAS Name: 3-methylbenzoic 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] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [(Z)-[1-amino-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethylidene]amino] ester Formula: C15H17N5O4 MolecularWeight: 331.32658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)ON=C(CN2C(=C(C(=N2)C)[N+](=O)[O-])C)N

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)O/N=C(/CN2C(=C(C(=N2)C)[N+](=O)[O-])C)\N

InChI

InChI=1S/C15H17N5O4/c1-9-5-4-6-12(7-9)15(21)24-18-13(16)8-19-11(3)14(20(22)23)10(2)17-19/h4-7H,8H2,1-3H3,(H2,16,18)