[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-(1,2-benzoxazol-3-yl)ethanoate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-(1,2-benzoxazol-3-yl)ethanoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 2-(1,2-benzoxazol-3-yl)acetate CAS Name: 2-(1,2-benzoxazol-3-yl)acetic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate Traditional Name: 2-indoxazen-3-ylacetic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C18H14N2O6 MolecularWeight: 354.31356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)CC2=NOC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)CC2=NOC3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C18H14N2O6/c1-11-6-7-12(8-15(11)20(23)24)16(21)10-25-18(22)9-14-13-4-2-3-5-17(13)26-19-14/h2-8H,9-10H2,1H3