[2-(1-naphthalen-1-ylethylamino)-2-oxidanylidene-ethyl] 2-azanyl-5-nitro-benzoate

Systemtic Name: [2-(1-naphthalen-1-ylethylamino)-2-oxidanylidene-ethyl] 2-azanyl-5-nitro-benzoate Openeye Name: [2-[1-(1-naphthyl)ethylamino]-2-oxo-ethyl] 2-amino-5-nitro-benzoate CAS Name: 2-amino-5-nitrobenzoic acid [2-[1-(1-naphthalenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 2-amino-5-nitrobenzoate Traditional Name: 2-amino-5-nitro-benzoic acid [2-keto-2-[1-(1-naphthyl)ethylamino]ethyl] ester Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)NC(=O)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N

Isomeric SMILES

CC(C1=CC=CC2=CC=CC=C21)NC(=O)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N

InChI

InChI=1S/C21H19N3O5/c1-13(16-8-4-6-14-5-2-3-7-17(14)16)23-20(25)12-29-21(26)18-11-15(24(27)28)9-10-19(18)22/h2-11,13H,12,22H2,1H3,(H,23,25)