[1-(naphthalen-2-ylamino)-1-oxidanylidene-propan-2-yl] 4-methyl-3-nitro-benzoate

Systemtic Name: [1-(naphthalen-2-ylamino)-1-oxidanylidene-propan-2-yl] 4-methyl-3-nitro-benzoate Openeye Name: [1-methyl-2-(2-naphthylamino)-2-oxo-ethyl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [1-(2-naphthalenylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [2-keto-1-methyl-2-(2-naphthylamino)ethyl] ester Formula: C21H18N2O5 MolecularWeight: 378.37802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2=CC3=CC=CC=C3C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2=CC3=CC=CC=C3C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O5/c1-13-7-8-17(12-19(13)23(26)27)21(25)28-14(2)20(24)22-18-10-9-15-5-3-4-6-16(15)11-18/h3-12,14H,1-2H3,(H,22,24)