N-(2-hydroxyethyl)-4-[[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-3,5-dinitro-benzamide

Systemtic Name: N-(2-hydroxyethyl)-4-[[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-3,5-dinitro-benzamide Openeye Name: N-(2-hydroxyethyl)-4-[[2-(4-methoxyanilino)-2-oxo-ethyl]-methyl-amino]-3,5-dinitro-benzamide CAS Name: N-(2-hydroxyethyl)-4-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-3,5-dinitrobenzamide IUPAC Name: N-(2-hydroxyethyl)-4-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-3,5-dinitrobenzamide Traditional Name: N-(2-hydroxyethyl)-4-[[2-keto-2-(p-anisidino)ethyl]-methyl-amino]-3,5-dinitro-benzamide Formula: C19H21N5O8 MolecularWeight: 447.39874

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=C(C=C1)OC)C2=C(C=C(C=C2[N+](=O)[O-])C(=O)NCCO)[N+](=O)[O-]

Isomeric SMILES

CN(CC(=O)NC1=CC=C(C=C1)OC)C2=C(C=C(C=C2[N+](=O)[O-])C(=O)NCCO)[N+](=O)[O-]

InChI

InChI=1S/C19H21N5O8/c1-22(11-17(26)21-13-3-5-14(32-2)6-4-13)18-15(23(28)29)9-12(10-16(18)24(30)31)19(27)20-7-8-25/h3-6,9-10,25H,7-8,11H2,1-2H3,(H,20,27)(H,21,26)