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

Systemtic Name: [2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methyl 4-azanyl-3-nitro-benzoate Openeye Name: [2-(4-methylanilino)thiazol-4-yl]methyl 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [2-(4-methylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [2-(p-toluidino)thiazol-4-yl]methyl ester Formula: C18H16N4O4S MolecularWeight: 384.40904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O4S/c1-11-2-5-13(6-3-11)20-18-21-14(10-27-18)9-26-17(23)12-4-7-15(19)16(8-12)22(24)25/h2-8,10H,9,19H2,1H3,(H,20,21)