methyl 3-[[4-azanyl-2-[(3-nitrophenyl)amino]-1,3-thiazol-5-yl]carbonyl]benzoate

Systemtic Name: methyl 3-[[4-azanyl-2-[(3-nitrophenyl)amino]-1,3-thiazol-5-yl]carbonyl]benzoate Openeye Name: methyl 3-[4-amino-2-(3-nitroanilino)thiazole-5-carbonyl]benzoate CAS Name: 3-[[4-amino-2-(3-nitroanilino)-5-thiazolyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[4-amino-2-(3-nitroanilino)-1,3-thiazole-5-carbonyl]benzoate Traditional Name: 3-[4-amino-2-(3-nitroanilino)thiazole-5-carbonyl]benzoic acid methyl ester Formula: C18H14N4O5S MolecularWeight: 398.39256

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C(=O)C2=C(N=C(S2)NC3=CC(=CC=C3)[N+](=O)[O-])N

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)C2=C(N=C(S2)NC3=CC(=CC=C3)[N+](=O)[O-])N

InChI

InChI=1S/C18H14N4O5S/c1-27-17(24)11-5-2-4-10(8-11)14(23)15-16(19)21-18(28-15)20-12-6-3-7-13(9-12)22(25)26/h2-9H,19H2,1H3,(H,20,21)