[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl] 3-[(3-nitrophenyl)carbonylamino]benzoate

Systemtic Name: [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl] 3-[(3-nitrophenyl)carbonylamino]benzoate Openeye Name: [2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl] 3-[(3-nitrobenzoyl)amino]benzoate CAS Name: 3-[[(3-nitrophenyl)-oxomethyl]amino]benzoic acid [2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-[(3-nitrobenzoyl)amino]benzoate Traditional Name: 3-[(3-nitrobenzoyl)amino]benzoic acid [2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl] ester Formula: C20H16N4O7 MolecularWeight: 424.36364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N4O7/c1-12-8-17(23-31-12)22-18(25)11-30-20(27)14-5-2-6-15(9-14)21-19(26)13-4-3-7-16(10-13)24(28)29/h2-10H,11H2,1H3,(H,21,26)(H,22,23,25)