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

Systemtic Name: [4-[(2-azanyl-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]-2-methoxy-phenyl] 4-nitrobenzoate Openeye Name: [4-[(2-amino-4-oxo-thiazol-5-ylidene)methyl]-2-methoxy-phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4-[(2-amino-4-oxo-5-thiazolylidene)methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2-methoxyphenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [4-[(2-amino-4-keto-2-thiazolin-5-ylidene)methyl]-2-methoxy-phenyl] ester Formula: C18H13N3O6S MolecularWeight: 399.37732

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C2C(=O)N=C(S2)N)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C=C2C(=O)N=C(S2)N)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H13N3O6S/c1-26-14-8-10(9-15-16(22)20-18(19)28-15)2-7-13(14)27-17(23)11-3-5-12(6-4-11)21(24)25/h2-9H,1H3,(H2,19,20,22)