[2-[2-(2-methylphenyl)ethylamino]-2-oxidanylidene-ethyl] 2-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)ethanoate

Systemtic Name: [2-[2-(2-methylphenyl)ethylamino]-2-oxidanylidene-ethyl] 2-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)ethanoate Openeye Name: [2-[2-(o-tolyl)ethylamino]-2-oxo-ethyl] 2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetate CAS Name: 2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetic acid [2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetate Traditional Name: 2-(2-keto-6-nitro-1,3-benzoxazol-3-yl)acetic acid [2-keto-2-[2-(o-tolyl)ethylamino]ethyl] ester Formula: C20H19N3O7 MolecularWeight: 413.38076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCNC(=O)COC(=O)CN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

Isomeric SMILES

CC1=CC=CC=C1CCNC(=O)COC(=O)CN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

InChI

InChI=1S/C20H19N3O7/c1-13-4-2-3-5-14(13)8-9-21-18(24)12-29-19(25)11-22-16-7-6-15(23(27)28)10-17(16)30-20(22)26/h2-7,10H,8-9,11-12H2,1H3,(H,21,24)