[4-[(2-azanyl-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]phenyl] 3-nitrobenzoate

Systemtic Name: [4-[(2-azanyl-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]phenyl] 3-nitrobenzoate Openeye Name: [4-[(2-amino-4-oxo-thiazol-5-ylidene)methyl]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[(2-amino-4-oxo-5-thiazolylidene)methyl]phenyl] ester IUPAC Name: [4-[(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[(2-amino-4-keto-2-thiazolin-5-ylidene)methyl]phenyl] ester Formula: C17H11N3O5S MolecularWeight: 369.35134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC2=CC=C(C=C2)C=C3C(=O)N=C(S3)N

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC2=CC=C(C=C2)C=C3C(=O)N=C(S3)N

InChI

InChI=1S/C17H11N3O5S/c18-17-19-15(21)14(26-17)8-10-4-6-13(7-5-10)25-16(22)11-2-1-3-12(9-11)20(23)24/h1-9H,(H2,18,19,21)