4-[(2E)-2-(3-ethoxycarbonyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)hydrazinyl]-3-nitro-benzoic acid

Systemtic Name: 4-[(2E)-2-(3-ethoxycarbonyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)hydrazinyl]-3-nitro-benzoic acid Openeye Name: 4-[(2E)-2-(3-ethoxycarbonyl-5-oxo-1-phenyl-pyrazol-4-ylidene)hydrazino]-3-nitro-benzoic acid CAS Name: 4-[(2E)-2-(3-ethoxycarbonyl-5-oxo-1-phenyl-4-pyrazolylidene)hydrazinyl]-3-nitrobenzoic acid IUPAC Name: 4-[(2E)-2-(3-ethoxycarbonyl-5-oxo-1-phenylpyrazol-4-ylidene)hydrazinyl]-3-nitrobenzoic acid Traditional Name: 4-[(N'E)-N'-(3-carbethoxy-5-keto-1-phenyl-2-pyrazolin-4-ylidene)hydrazino]-3-nitro-benzoic acid Formula: C19H15N5O7 MolecularWeight: 425.3517

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C1=NNC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C19H15N5O7/c1-2-31-19(28)16-15(17(25)23(22-16)12-6-4-3-5-7-12)21-20-13-9-8-11(18(26)27)10-14(13)24(29)30/h3-10,20H,2H2,1H3,(H,26,27)/b21-15+