N-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]-3-nitro-benzamide

Systemtic Name: N-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]-3-nitro-benzamide Openeye Name: N-[4-[2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl]sulfanylphenyl]-3-nitro-benzamide CAS Name: N-[4-[[2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl]thio]phenyl]-3-nitrobenzamide IUPAC Name: N-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylphenyl]-3-nitrobenzamide Traditional Name: N-[4-[[2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl]thio]phenyl]-3-nitro-benzamide Formula: C19H16N4O5S MolecularWeight: 412.41914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CSC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CSC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

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