[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxidanylidene-ethyl] 4-methyl-3-nitro-benzoate

Systemtic Name: [2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxidanylidene-ethyl] 4-methyl-3-nitro-benzoate Openeye Name: [2-[[(1R)-1-(1-naphthyl)ethyl]amino]-2-oxo-ethyl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [2-[[(1R)-1-(1-naphthalenyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [2-keto-2-[[(1R)-1-(1-naphthyl)ethyl]amino]ethyl] ester Formula: C22H20N2O5 MolecularWeight: 392.4046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC(C)C2=CC=CC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)N[C@H](C)C2=CC=CC3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C22H20N2O5/c1-14-10-11-17(12-20(14)24(27)28)22(26)29-13-21(25)23-15(2)18-9-5-7-16-6-3-4-8-19(16)18/h3-12,15H,13H2,1-2H3,(H,23,25)/t15-/m1/s1