2-(2-dimethylaminoethyl)-5-nitro-benzo[de]isoquinoline-1,3-dione; 2-oxidanylbutanedioic acid

Systemtic Name: 2-(2-dimethylaminoethyl)-5-nitro-benzo[de]isoquinoline-1,3-dione; 2-oxidanylbutanedioic acid Openeye Name: 2-(2-dimethylaminoethyl)-5-nitro-benzo[de]isoquinoline-1,3-dione; 2-hydroxybutanedioic acid CAS Name: 2-(2-dimethylaminoethyl)-5-nitrobenzo[de]isoquinoline-1,3-dione; 2-hydroxybutanedioic acid IUPAC Name: 2-(2-dimethylaminoethyl)-5-nitrobenzo[de]isoquinoline-1,3-dione; 2-hydroxybutanedioic acid Traditional Name: 2-(2-dimethylaminoethyl)-5-nitro-benzo[de]isoquinoline-1,3-quinone; malic acid Formula: C20H21N3O9 MolecularWeight: 447.39544

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C(=O)C2=CC=CC3=CC(=CC(=C32)C1=O)[N+](=O)[O-].C(C(C(=O)O)O)C(=O)O

Isomeric SMILES

CN(C)CCN1C(=O)C2=CC=CC3=CC(=CC(=C32)C1=O)[N+](=O)[O-].C(C(C(=O)O)O)C(=O)O

InChI

InChI=1S/C16H15N3O4.C4H6O5/c1-17(2)6-7-18-15(20)12-5-3-4-10-8-11(19(22)23)9-13(14(10)12)16(18)21;5-2(4(8)9)1-3(6)7/h3-5,8-9H,6-7H2,1-2H3;2,5H,1H2,(H,6,7)(H,8,9)