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

Systemtic Name: [2-[(4-methoxyphenyl)amino]-1,3-thiazol-4-yl]methyl 2-azanyl-5-nitro-benzoate Openeye Name: [2-(4-methoxyanilino)thiazol-4-yl]methyl 2-amino-5-nitro-benzoate CAS Name: 2-amino-5-nitrobenzoic acid [2-(4-methoxyanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methoxyanilino)-1,3-thiazol-4-yl]methyl 2-amino-5-nitrobenzoate Traditional Name: 2-amino-5-nitro-benzoic acid [2-(p-anisidino)thiazol-4-yl]methyl ester Formula: C18H16N4O5S MolecularWeight: 400.40844

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N

InChI

InChI=1S/C18H16N4O5S/c1-26-14-5-2-11(3-6-14)20-18-21-12(10-28-18)9-27-17(23)15-8-13(22(24)25)4-7-16(15)19/h2-8,10H,9,19H2,1H3,(H,20,21)