2-[[4-(diethylamino)phenyl]carbonylamino]-1-oxidanylidene-isoquinoline-4-carboxylic acid

Systemtic Name: 2-[[4-(diethylamino)phenyl]carbonylamino]-1-oxidanylidene-isoquinoline-4-carboxylic acid Openeye Name: 2-[[4-(diethylamino)benzoyl]amino]-1-oxo-isoquinoline-4-carboxylic acid CAS Name: 2-[[[4-(diethylamino)phenyl]-oxomethyl]amino]-1-oxo-4-isoquinolinecarboxylic acid IUPAC Name: 2-[[4-(diethylamino)benzoyl]amino]-1-oxoisoquinoline-4-carboxylic acid Traditional Name: 2-[[4-(diethylamino)benzoyl]amino]-1-keto-isoquinoline-4-carboxylic acid Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C(=O)NN2C=C(C3=CC=CC=C3C2=O)C(=O)O

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C(=O)NN2C=C(C3=CC=CC=C3C2=O)C(=O)O

InChI

InChI=1S/C21H21N3O4/c1-3-23(4-2)15-11-9-14(10-12-15)19(25)22-24-13-18(21(27)28)16-7-5-6-8-17(16)20(24)26/h5-13H,3-4H2,1-2H3,(H,22,25)(H,27,28)