2-[5-[[(E)-4-ethoxy-4-oxidanylidene-but-2-enoyl]amino]-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethanoic acid

Systemtic Name: 2-[5-[[(E)-4-ethoxy-4-oxidanylidene-but-2-enoyl]amino]-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethanoic acid Openeye Name: 2-[5-[[(E)-4-ethoxy-4-oxo-but-2-enoyl]amino]-1,3-dioxo-benzo[de]isoquinolin-2-yl]acetic acid CAS Name: 2-[5-[[(E)-4-ethoxy-1,4-dioxobut-2-enyl]amino]-1,3-dioxo-2-benzo[de]isoquinolinyl]acetic acid IUPAC Name: 2-[5-[[(E)-4-ethoxy-4-oxobut-2-enoyl]amino]-1,3-dioxobenzo[de]isoquinolin-2-yl]acetic acid Traditional Name: 2-[5-[[(E)-4-ethoxy-4-keto-but-2-enoyl]amino]-1,3-diketo-benzo[de]isoquinolin-2-yl]acetic acid Formula: C20H16N2O7 MolecularWeight: 396.35024

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)NC1=CC2=C3C(=C1)C=CC=C3C(=O)N(C2=O)CC(=O)O

Isomeric SMILES

CCOC(=O)/C=C/C(=O)NC1=CC2=C3C(=C1)C=CC=C3C(=O)N(C2=O)CC(=O)O

InChI

InChI=1S/C20H16N2O7/c1-2-29-17(26)7-6-15(23)21-12-8-11-4-3-5-13-18(11)14(9-12)20(28)22(19(13)27)10-16(24)25/h3-9H,2,10H2,1H3,(H,21,23)(H,24,25)/b7-6+