[(2S)-1-[(2-methoxy-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(1,2-benzoxazol-3-yl)ethanoate

Systemtic Name: [(2S)-1-[(2-methoxy-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(1,2-benzoxazol-3-yl)ethanoate Openeye Name: [(1S)-2-(2-methoxy-4-nitro-anilino)-1-methyl-2-oxo-ethyl] 2-(1,2-benzoxazol-3-yl)acetate CAS Name: 2-(1,2-benzoxazol-3-yl)acetic acid [(2S)-1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl] 2-(1,2-benzoxazol-3-yl)acetate Traditional Name: 2-indoxazen-3-ylacetic acid [(1S)-2-keto-2-(2-methoxy-4-nitro-anilino)-1-methyl-ethyl] ester Formula: C19H17N3O7 MolecularWeight: 399.35418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC)OC(=O)CC2=NOC3=CC=CC=C32

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC)OC(=O)CC2=NOC3=CC=CC=C32

InChI

InChI=1S/C19H17N3O7/c1-11(19(24)20-14-8-7-12(22(25)26)9-17(14)27-2)28-18(23)10-15-13-5-3-4-6-16(13)29-21-15/h3-9,11H,10H2,1-2H3,(H,20,24)/t11-/m0/s1