methyl 3-nitro-4-[(2S)-1-oxidanylidene-1-[[(1R)-1-phenylbutyl]amino]propan-2-yl]oxy-benzoate

Systemtic Name: methyl 3-nitro-4-[(2S)-1-oxidanylidene-1-[[(1R)-1-phenylbutyl]amino]propan-2-yl]oxy-benzoate Openeye Name: methyl 4-[(1S)-1-methyl-2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethoxy]-3-nitro-benzoate CAS Name: 3-nitro-4-[(2S)-1-oxo-1-[[(1R)-1-phenylbutyl]amino]propan-2-yl]oxybenzoic acid methyl ester IUPAC Name: methyl 3-nitro-4-[(2S)-1-oxo-1-[[(1R)-1-phenylbutyl]amino]propan-2-yl]oxybenzoate Traditional Name: 4-[(1S)-2-keto-1-methyl-2-[[(1R)-1-phenylbutyl]amino]ethoxy]-3-nitro-benzoic acid methyl ester Formula: C21H24N2O6 MolecularWeight: 400.42506

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)C(C)OC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCC[C@H](C1=CC=CC=C1)NC(=O)[C@H](C)OC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H24N2O6/c1-4-8-17(15-9-6-5-7-10-15)22-20(24)14(2)29-19-12-11-16(21(25)28-3)13-18(19)23(26)27/h5-7,9-14,17H,4,8H2,1-3H3,(H,22,24)/t14-,17+/m0/s1