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

Systemtic Name: [4-[(Z)-(2-azanyl-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]-2-methoxy-phenyl] 3-nitrobenzoate Openeye Name: [4-[(Z)-(2-amino-4-oxo-thiazol-5-ylidene)methyl]-2-methoxy-phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[(Z)-(2-amino-4-oxo-5-thiazolylidene)methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2-methoxyphenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[(Z)-(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(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C\2/C(=O)N=C(S2)N)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H13N3O6S/c1-26-14-7-10(8-15-16(22)20-18(19)28-15)5-6-13(14)27-17(23)11-3-2-4-12(9-11)21(24)25/h2-9H,1H3,(H2,19,20,22)/b15-8-