(Z)-but-2-enedioic acid; 2-(4-methylpiperazin-1-yl)-N-(2-nitrophenyl)-N-phenyl-ethanamide; hydrate

Systemtic Name: (Z)-but-2-enedioic acid; 2-(4-methylpiperazin-1-yl)-N-(2-nitrophenyl)-N-phenyl-ethanamide; hydrate Openeye Name: maleic acid; 2-(4-methylpiperazin-1-yl)-N-(2-nitrophenyl)-N-phenyl-acetamide; hydrate CAS Name: (Z)-2-butenedioic acid; 2-(4-methyl-1-piperazinyl)-N-(2-nitrophenyl)-N-phenylacetamide; hydrate IUPAC Name: (Z)-but-2-enedioic acid; 2-(4-methylpiperazin-1-yl)-N-(2-nitrophenyl)-N-phenylacetamide; hydrate Traditional Name: maleic acid; 2-(4-methylpiperazino)-N-(2-nitrophenyl)-N-phenyl-acetamide; hydrate Formula: C27H32N4O12 MolecularWeight: 604.56258

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC(=O)N(C2=CC=CC=C2)C3=CC=CC=C3[N+](=O)[O-].C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O.O

Isomeric SMILES

CN1CCN(CC1)CC(=O)N(C2=CC=CC=C2[N+](=O)[O-])C3=CC=CC=C3.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O.O

InChI

InChI=1S/C19H22N4O3.2C4H4O4.H2O/c1-20-11-13-21(14-12-20)15-19(24)22(16-7-3-2-4-8-16)17-9-5-6-10-18(17)23(25)26;2*5-3(6)1-2-4(7)8;/h2-10H,11-15H2,1H3;2*1-2H,(H,5,6)(H,7,8);1H2/b;2*2-1-;