6,9-bis(2-azanylethylimino)-2,5-bis(oxidanyl)benzo[g]isoquinolin-10-one; (Z)-but-2-enedioic acid

Systemtic Name: 6,9-bis(2-azanylethylimino)-2,5-bis(oxidanyl)benzo[g]isoquinolin-10-one; (Z)-but-2-enedioic acid Openeye Name: 6,9-bis(2-aminoethylimino)-2,5-dihydroxy-benzo[g]isoquinolin-10-one; maleic acid CAS Name: 6,9-bis(2-aminoethylimino)-2,5-dihydroxy-10-benzo[g]isoquinolinone; (Z)-2-butenedioic acid IUPAC Name: 6,9-bis(2-aminoethylimino)-2,5-dihydroxybenzo[g]isoquinolin-10-one; (Z)-but-2-enedioic acid Traditional Name: 6,9-bis(2-aminoethylimino)-2,5-dihydroxy-benz[g]isoquinolin-10-one; maleic acid Formula: C21H23N5O7 MolecularWeight: 457.43662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NCCN)C2=C(C1=NCCN)C(=C3C=CN(C=C3C2=O)O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=NCCN)C2=C(C1=NCCN)C(=C3C=CN(C=C3C2=O)O)O.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C17H19N5O3.C4H4O4/c18-4-6-20-12-1-2-13(21-7-5-19)15-14(12)16(23)10-3-8-22(25)9-11(10)17(15)24;5-3(6)1-2-4(7)8/h1-3,8-9,23,25H,4-7,18-19H2;1-2H,(H,5,6)(H,7,8)/b;2-1-