[2-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate

Systemtic Name: [2-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate Openeye Name: [2-[[4-(3-bromophenyl)thiazol-2-yl]amino]-2-oxo-ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [2-[[4-(3-bromophenyl)-2-thiazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [2-[[4-(3-bromophenyl)thiazol-2-yl]amino]-2-keto-ethyl] ester Formula: C18H13BrN4O5S MolecularWeight: 477.28862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C2=CSC(=N2)NC(=O)COC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Br)C2=CSC(=N2)NC(=O)COC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C18H13BrN4O5S/c19-12-3-1-2-10(6-12)14-9-29-18(21-14)22-16(24)8-28-17(25)11-4-5-13(20)15(7-11)23(26)27/h1-7,9H,8,20H2,(H,21,22,24)