methyl 4-(naphthalen-1-ylamino)-3,5-dinitro-benzoate

Systemtic Name: methyl 4-(naphthalen-1-ylamino)-3,5-dinitro-benzoate Openeye Name: methyl 4-(1-naphthylamino)-3,5-dinitro-benzoate CAS Name: 4-(1-naphthalenylamino)-3,5-dinitrobenzoic acid methyl ester IUPAC Name: methyl 4-(naphthalen-1-ylamino)-3,5-dinitrobenzoate Traditional Name: 4-(1-naphthylamino)-3,5-dinitro-benzoic acid methyl ester Formula: C18H13N3O6 MolecularWeight: 367.31232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13N3O6/c1-27-18(22)12-9-15(20(23)24)17(16(10-12)21(25)26)19-14-8-4-6-11-5-2-3-7-13(11)14/h2-10,19H,1H3