(4-chloranyl-3-nitro-phenyl)-(4-methyl-1,4-diazepan-1-yl)methanone; ethanedioic acid

Systemtic Name: (4-chloranyl-3-nitro-phenyl)-(4-methyl-1,4-diazepan-1-yl)methanone; ethanedioic acid Openeye Name: (4-chloro-3-nitro-phenyl)-(4-methyl-1,4-diazepan-1-yl)methanone; oxalic acid CAS Name: (4-chloro-3-nitrophenyl)-(4-methyl-1,4-diazepan-1-yl)methanone; oxalic acid IUPAC Name: (4-chloro-3-nitrophenyl)-(4-methyl-1,4-diazepan-1-yl)methanone; oxalic acid Traditional Name: (4-chloro-3-nitro-phenyl)-(4-methyl-1,4-diazepan-1-yl)methanone; oxalic acid Formula: C15H18ClN3O7 MolecularWeight: 387.77232

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C13H16ClN3O3.C2H2O4/c1-15-5-2-6-16(8-7-15)13(18)10-3-4-11(14)12(9-10)17(19)20;3-1(4)2(5)6/h3-4,9H,2,5-8H2,1H3;(H,3,4)(H,5,6)