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

Systemtic Name: [2-[ethanoyl(phenyl)amino]-1,3-thiazol-4-yl]methyl 4-azanyl-3-nitro-benzoate Openeye Name: [2-(N-acetylanilino)thiazol-4-yl]methyl 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [2-(N-acetylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [2-(N-acetylanilino)thiazol-4-yl]methyl ester Formula: C19H16N4O5S MolecularWeight: 412.41914

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1=CC=CC=C1)C2=NC(=CS2)COC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N(C1=CC=CC=C1)C2=NC(=CS2)COC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C19H16N4O5S/c1-12(24)22(15-5-3-2-4-6-15)19-21-14(11-29-19)10-28-18(25)13-7-8-16(20)17(9-13)23(26)27/h2-9,11H,10,20H2,1H3