4-[[(Z)-[1-(3-chlorophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]amino]-3-nitro-benzoate

Systemtic Name: 4-[[(Z)-[1-(3-chlorophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]amino]-3-nitro-benzoate Openeye Name: 4-[[(Z)-[1-(3-chlorophenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methyl]amino]-3-nitro-benzoate CAS Name: 4-[[(Z)-[1-(3-chlorophenyl)-3-methyl-5-oxo-4-pyrazolylidene]methyl]amino]-3-nitrobenzoate IUPAC Name: 4-[[(Z)-[1-(3-chlorophenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]amino]-3-nitrobenzoate Traditional Name: 4-[[(Z)-[1-(3-chlorophenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]methyl]amino]-3-nitro-benzoate Formula: C18H12ClN4O5- MolecularWeight: 399.76468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CNC2=C(C=C(C=C2)C(=O)[O-])[N+](=O)[O-])C3=CC(=CC=C3)Cl

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\NC2=C(C=C(C=C2)C(=O)[O-])[N+](=O)[O-])C3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H13ClN4O5/c1-10-14(17(24)22(21-10)13-4-2-3-12(19)8-13)9-20-15-6-5-11(18(25)26)7-16(15)23(27)28/h2-9,20H,1H3,(H,25,26)/p-1/b14-9-