methyl 4-[(4-ethoxyphenyl)amino]-3,5-dinitro-benzoate

Systemtic Name: methyl 4-[(4-ethoxyphenyl)amino]-3,5-dinitro-benzoate Openeye Name: methyl 4-(4-ethoxyanilino)-3,5-dinitro-benzoate CAS Name: 4-(4-ethoxyanilino)-3,5-dinitrobenzoic acid methyl ester IUPAC Name: methyl 4-(4-ethoxyanilino)-3,5-dinitrobenzoate Traditional Name: 3,5-dinitro-4-(p-phenetidino)benzoic acid methyl ester Formula: C16H15N3O7 MolecularWeight: 361.3062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=C(C=C(C=C2[N+](=O)[O-])C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=C(C=C(C=C2[N+](=O)[O-])C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O7/c1-3-26-12-6-4-11(5-7-12)17-15-13(18(21)22)8-10(16(20)25-2)9-14(15)19(23)24/h4-9,17H,3H2,1-2H3