[2-(naphthalen-1-ylamino)-2-oxidanylidene-ethyl] 4-methyl-3,5-dinitro-benzoate

Systemtic Name: [2-(naphthalen-1-ylamino)-2-oxidanylidene-ethyl] 4-methyl-3,5-dinitro-benzoate Openeye Name: [2-(1-naphthylamino)-2-oxo-ethyl] 4-methyl-3,5-dinitro-benzoate CAS Name: 4-methyl-3,5-dinitrobenzoic acid [2-(1-naphthalenylamino)-2-oxoethyl] ester IUPAC Name: [2-(naphthalen-1-ylamino)-2-oxoethyl] 4-methyl-3,5-dinitrobenzoate Traditional Name: 4-methyl-3,5-dinitro-benzoic acid [2-keto-2-(1-naphthylamino)ethyl] ester Formula: C20H15N3O7 MolecularWeight: 409.349

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)OCC(=O)NC2=CC=CC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)OCC(=O)NC2=CC=CC3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C20H15N3O7/c1-12-17(22(26)27)9-14(10-18(12)23(28)29)20(25)30-11-19(24)21-16-8-4-6-13-5-2-3-7-15(13)16/h2-10H,11H2,1H3,(H,21,24)