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

Systemtic Name: [3-[(2-azanyl-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]phenyl] 3,5-dinitrobenzoate Openeye Name: [3-[(2-amino-4-oxo-thiazol-5-ylidene)methyl]phenyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [3-[(2-amino-4-oxo-5-thiazolylidene)methyl]phenyl] ester IUPAC Name: [3-[(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]phenyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [3-[(2-amino-4-keto-2-thiazolin-5-ylidene)methyl]phenyl] ester Formula: C17H10N4O7S MolecularWeight: 414.3489

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H10N4O7S/c18-17-19-15(22)14(29-17)5-9-2-1-3-13(4-9)28-16(23)10-6-11(20(24)25)8-12(7-10)21(26)27/h1-8H,(H2,18,19,22)