butanedioic acid; 3-[2-[4-(4-nitrophenyl)butan-2-ylamino]-1-oxidanyl-ethyl]phenol

Systemtic Name: butanedioic acid; 3-[2-[4-(4-nitrophenyl)butan-2-ylamino]-1-oxidanyl-ethyl]phenol Openeye Name: 3-[1-hydroxy-2-[[1-methyl-3-(4-nitrophenyl)propyl]amino]ethyl]phenol; succinic acid CAS Name: butanedioic acid; 3-[1-hydroxy-2-[4-(4-nitrophenyl)butan-2-ylamino]ethyl]phenol IUPAC Name: butanedioic acid; 3-[1-hydroxy-2-[4-(4-nitrophenyl)butan-2-ylamino]ethyl]phenol Traditional Name: 3-[1-hydroxy-2-[[1-methyl-3-(4-nitrophenyl)propyl]amino]ethyl]phenol; succinic acid Formula: C22H28N2O8 MolecularWeight: 448.46632

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(C=C1)[N+](=O)[O-])NCC(C2=CC(=CC=C2)O)O.C(CC(=O)O)C(=O)O

Isomeric SMILES

CC(CCC1=CC=C(C=C1)[N+](=O)[O-])NCC(C2=CC(=CC=C2)O)O.C(CC(=O)O)C(=O)O

InChI

InChI=1S/C18H22N2O4.C4H6O4/c1-13(5-6-14-7-9-16(10-8-14)20(23)24)19-12-18(22)15-3-2-4-17(21)11-15;5-3(6)1-2-4(7)8/h2-4,7-11,13,18-19,21-22H,5-6,12H2,1H3;1-2H2,(H,5,6)(H,7,8)