(Z)-7-azanyl-7-oxidanylidene-2-(quinolin-2-ylcarbonylamino)hept-2-enoic acid

Systemtic Name: (Z)-7-azanyl-7-oxidanylidene-2-(quinolin-2-ylcarbonylamino)hept-2-enoic acid Openeye Name: (Z)-7-amino-7-oxo-2-(quinoline-2-carbonylamino)hept-2-enoic acid CAS Name: (Z)-7-amino-7-oxo-2-[[oxo(2-quinolinyl)methyl]amino]-2-heptenoic acid IUPAC Name: (Z)-7-amino-7-oxo-2-(quinoline-2-carbonylamino)hept-2-enoic acid Traditional Name: (Z)-7-amino-7-keto-2-(quinaldoylamino)hept-2-enoic acid Formula: C17H17N3O4 MolecularWeight: 327.33458

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)C(=O)NC(=CCCCC(=O)N)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)C(=O)N/C(=C\CCCC(=O)N)/C(=O)O

InChI

InChI=1S/C17H17N3O4/c18-15(21)8-4-3-7-14(17(23)24)20-16(22)13-10-9-11-5-1-2-6-12(11)19-13/h1-2,5-7,9-10H,3-4,8H2,(H2,18,21)(H,20,22)(H,23,24)/b14-7-