[4-[(E)-[(4-oxidanylidene-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] 3-nitrobenzoate

Systemtic Name: [4-[(E)-[(4-oxidanylidene-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] 3-nitrobenzoate Openeye Name: [4-[(E)-[(4-oxothiazol-2-yl)hydrazono]methyl]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[(E)-[(4-oxo-2-thiazolyl)hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-[(4-oxo-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[(E)-[(4-keto-2-thiazolin-2-yl)hydrazono]methyl]phenyl] ester Formula: C17H12N4O5S MolecularWeight: 384.36598

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N=C(S1)NN=CC2=CC=C(C=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1C(=O)N=C(S1)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H12N4O5S/c22-15-10-27-17(19-15)20-18-9-11-4-6-14(7-5-11)26-16(23)12-2-1-3-13(8-12)21(24)25/h1-9H,10H2,(H,19,20,22)/b18-9+