3-[[(Z)-4-[4-(dimethylaminomethyl)pyridin-2-yl]-2-oxidanyl-but-2-enyl]amino]-4-methoxy-cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[[(Z)-4-[4-(dimethylaminomethyl)pyridin-2-yl]-2-oxidanyl-but-2-enyl]amino]-4-methoxy-cyclobut-3-ene-1,2-dione Openeye Name: 3-[[(Z)-4-[4-(dimethylaminomethyl)-2-pyridyl]-2-hydroxy-but-2-enyl]amino]-4-methoxy-cyclobut-3-ene-1,2-dione CAS Name: 3-[[(Z)-4-[4-(dimethylaminomethyl)-2-pyridinyl]-2-hydroxybut-2-enyl]amino]-4-methoxycyclobut-3-ene-1,2-dione IUPAC Name: 3-[[(Z)-4-[4-(dimethylaminomethyl)pyridin-2-yl]-2-hydroxybut-2-enyl]amino]-4-methoxycyclobut-3-ene-1,2-dione Traditional Name: 3-[[(Z)-4-[4-(dimethylaminomethyl)-2-pyridyl]-2-hydroxy-but-2-enyl]amino]-4-methoxy-cyclobut-3-ene-1,2-quinone Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC(=NC=C1)CC=C(CNC2=C(C(=O)C2=O)OC)O

Isomeric SMILES

CN(C)CC1=CC(=NC=C1)C/C=C(/CNC2=C(C(=O)C2=O)OC)\O

InChI

InChI=1S/C17H21N3O4/c1-20(2)10-11-6-7-18-12(8-11)4-5-13(21)9-19-14-15(22)16(23)17(14)24-3/h5-8,19,21H,4,9-10H2,1-3H3/b13-5-