4-chloranyl-2-[(E)-2-cyano-3-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]-3-oxidanylidene-prop-1-enyl]-6-nitro-phenolate

Systemtic Name: 4-chloranyl-2-[(E)-2-cyano-3-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]-3-oxidanylidene-prop-1-enyl]-6-nitro-phenolate Openeye Name: 4-chloro-2-[(E)-2-cyano-3-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]-3-oxo-prop-1-enyl]-6-nitro-phenolate CAS Name: 4-chloro-2-[(E)-2-cyano-3-[(5-methyl-2-phenyl-3-pyrazolyl)amino]-3-oxoprop-1-enyl]-6-nitrophenolate IUPAC Name: 4-chloro-2-[(E)-2-cyano-3-[(5-methyl-2-phenylpyrazol-3-yl)amino]-3-oxoprop-1-enyl]-6-nitrophenolate Traditional Name: 4-chloro-2-[(E)-2-cyano-3-keto-3-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]prop-1-enyl]-6-nitro-phenolate Formula: C20H13ClN5O4- MolecularWeight: 422.80132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C(=CC2=CC(=CC(=C2[O-])[N+](=O)[O-])Cl)C#N)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H14ClN5O4/c1-12-7-18(25(24-12)16-5-3-2-4-6-16)23-20(28)14(11-22)8-13-9-15(21)10-17(19(13)27)26(29)30/h2-10,27H,1H3,(H,23,28)/p-1/b14-8+