N-(2-azanyl-2-oxidanylidene-ethyl)-N-(2-diethylaminoethyl)-4-nitro-benzamide; ethanedioic acid; hydrate

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-N-(2-diethylaminoethyl)-4-nitro-benzamide; ethanedioic acid; hydrate Openeye Name: N-(2-amino-2-oxo-ethyl)-N-(2-diethylaminoethyl)-4-nitro-benzamide; oxalic acid; hydrate CAS Name: N-(2-amino-2-oxoethyl)-N-(2-diethylaminoethyl)-4-nitrobenzamide; oxalic acid; hydrate IUPAC Name: N-(2-amino-2-oxoethyl)-N-(2-diethylaminoethyl)-4-nitrobenzamide; oxalic acid; hydrate Traditional Name: N-(2-amino-2-keto-ethyl)-N-(2-diethylaminoethyl)-4-nitro-benzamide; oxalic acid; hydrate Formula: C17H26N4O9 MolecularWeight: 430.40974

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(CC(=O)N)C(=O)C1=CC=C(C=C1)[N+](=O)[O-].C(=O)(C(=O)O)O.O

Isomeric SMILES

CCN(CC)CCN(CC(=O)N)C(=O)C1=CC=C(C=C1)[N+](=O)[O-].C(=O)(C(=O)O)O.O

InChI

InChI=1S/C15H22N4O4.C2H2O4.H2O/c1-3-17(4-2)9-10-18(11-14(16)20)15(21)12-5-7-13(8-6-12)19(22)23;3-1(4)2(5)6;/h5-8H,3-4,9-11H2,1-2H3,(H2,16,20);(H,3,4)(H,5,6);1H2