[(2R)-1-[2-cyanoethyl(methyl)amino]-1-oxidanylidene-propan-2-yl] 3-nitro-4-phenylazanyl-benzoate

Systemtic Name: [(2R)-1-[2-cyanoethyl(methyl)amino]-1-oxidanylidene-propan-2-yl] 3-nitro-4-phenylazanyl-benzoate Openeye Name: [(1R)-2-[2-cyanoethyl(methyl)amino]-1-methyl-2-oxo-ethyl] 4-anilino-3-nitro-benzoate CAS Name: 4-anilino-3-nitrobenzoic acid [(2R)-1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl] 4-anilino-3-nitrobenzoate Traditional Name: 4-anilino-3-nitro-benzoic acid [(1R)-2-[2-cyanoethyl(methyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C20H20N4O5 MolecularWeight: 396.3966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CCC#N)OC(=O)C1=CC(=C(C=C1)NC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)N(C)CCC#N)OC(=O)C1=CC(=C(C=C1)NC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O5/c1-14(19(25)23(2)12-6-11-21)29-20(26)15-9-10-17(18(13-15)24(27)28)22-16-7-4-3-5-8-16/h3-5,7-10,13-14,22H,6,12H2,1-2H3/t14-/m1/s1