[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-(methylamino)-5-nitro-benzoate

Systemtic Name: [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-(methylamino)-5-nitro-benzoate Openeye Name: [2-[(5-methylisoxazol-3-yl)amino]-2-oxo-1-phenyl-ethyl] 2-(methylamino)-5-nitro-benzoate CAS Name: 2-(methylamino)-5-nitrobenzoic acid [2-[(5-methyl-3-isoxazolyl)amino]-2-oxo-1-phenylethyl] ester IUPAC Name: [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 2-(methylamino)-5-nitrobenzoate Traditional Name: 2-(methylamino)-5-nitro-benzoic acid [2-keto-2-[(5-methylisoxazol-3-yl)amino]-1-phenyl-ethyl] ester Formula: C20H18N4O6 MolecularWeight: 410.38012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O6/c1-12-10-17(23-30-12)22-19(25)18(13-6-4-3-5-7-13)29-20(26)15-11-14(24(27)28)8-9-16(15)21-2/h3-11,18,21H,1-2H3,(H,22,23,25)