[2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl] 2-[4-(methylamino)-3-nitro-phenyl]carbonylbenzoate

Systemtic Name: [2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl] 2-[4-(methylamino)-3-nitro-phenyl]carbonylbenzoate Openeye Name: [2-(isoxazol-3-ylamino)-2-oxo-ethyl] 2-[4-(methylamino)-3-nitro-benzoyl]benzoate CAS Name: 2-[[4-(methylamino)-3-nitrophenyl]-oxomethyl]benzoic acid [2-(3-isoxazolylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-[4-(methylamino)-3-nitrobenzoyl]benzoate Traditional Name: 2-[4-(methylamino)-3-nitro-benzoyl]benzoic acid [2-(isoxazol-3-ylamino)-2-keto-ethyl] ester Formula: C20H16N4O7 MolecularWeight: 424.36364

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)NC3=NOC=C3)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)NC3=NOC=C3)[N+](=O)[O-]

InChI

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