methyl 2-[2-[(4-imidazol-1-yl-3-nitro-phenyl)carbonylamino]-1,3-thiazol-4-yl]ethanoate

Systemtic Name: methyl 2-[2-[(4-imidazol-1-yl-3-nitro-phenyl)carbonylamino]-1,3-thiazol-4-yl]ethanoate Openeye Name: methyl 2-[2-[(4-imidazol-1-yl-3-nitro-benzoyl)amino]thiazol-4-yl]acetate CAS Name: 2-[2-[[[4-(1-imidazolyl)-3-nitrophenyl]-oxomethyl]amino]-4-thiazolyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[(4-imidazol-1-yl-3-nitrobenzoyl)amino]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[(4-imidazol-1-yl-3-nitro-benzoyl)amino]thiazol-4-yl]acetic acid methyl ester Formula: C16H13N5O5S MolecularWeight: 387.36992

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CSC(=N1)NC(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CC1=CSC(=N1)NC(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N5O5S/c1-26-14(22)7-11-8-27-16(18-11)19-15(23)10-2-3-12(13(6-10)21(24)25)20-5-4-17-9-20/h2-6,8-9H,7H2,1H3,(H,18,19,23)