5-azanyl-2-(2-dimethylaminoethyl)benzo[de]isoquinoline-1,3-dione; (E)-but-2-enedioic acid

Systemtic Name: 5-azanyl-2-(2-dimethylaminoethyl)benzo[de]isoquinoline-1,3-dione; (E)-but-2-enedioic acid Openeye Name: 5-amino-2-(2-dimethylaminoethyl)benzo[de]isoquinoline-1,3-dione; fumaric acid CAS Name: 5-amino-2-(2-dimethylaminoethyl)benzo[de]isoquinoline-1,3-dione; (E)-2-butenedioic acid IUPAC Name: 5-amino-2-(2-dimethylaminoethyl)benzo[de]isoquinoline-1,3-dione; (E)-but-2-enedioic acid Traditional Name: 5-amino-2-(2-dimethylaminoethyl)benzo[de]isoquinoline-1,3-quinone; fumaric acid Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C(=O)C2=CC=CC3=CC(=CC(=C32)C1=O)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C)CCN1C(=O)C2=CC=CC3=CC(=CC(=C32)C1=O)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H17N3O2.C4H4O4/c1-18(2)6-7-19-15(20)12-5-3-4-10-8-11(17)9-13(14(10)12)16(19)21;5-3(6)1-2-4(7)8/h3-5,8-9H,6-7,17H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+