7-bromanyl-1-cyclopropyl-8-methyl-4-oxidanylidene-5-(phenylmethoxycarbonylamino)quinoline-3-carboxylic acid

Systemtic Name: 7-bromanyl-1-cyclopropyl-8-methyl-4-oxidanylidene-5-(phenylmethoxycarbonylamino)quinoline-3-carboxylic acid Openeye Name: 5-(benzyloxycarbonylamino)-7-bromo-1-cyclopropyl-8-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-bromo-1-cyclopropyl-8-methyl-4-oxo-5-(phenylmethoxycarbonylamino)-3-quinolinecarboxylic acid IUPAC Name: 7-bromo-1-cyclopropyl-8-methyl-4-oxo-5-(phenylmethoxycarbonylamino)quinoline-3-carboxylic acid Traditional Name: 5-(benzyloxycarbonylamino)-7-bromo-1-cyclopropyl-4-keto-8-methyl-quinoline-3-carboxylic acid Formula: C22H19BrN2O5 MolecularWeight: 471.30066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C2=C1N(C=C(C2=O)C(=O)O)C3CC3)NC(=O)OCC4=CC=CC=C4)Br

Isomeric SMILES

CC1=C(C=C(C2=C1N(C=C(C2=O)C(=O)O)C3CC3)NC(=O)OCC4=CC=CC=C4)Br

InChI

InChI=1S/C22H19BrN2O5/c1-12-16(23)9-17(24-22(29)30-11-13-5-3-2-4-6-13)18-19(12)25(14-7-8-14)10-15(20(18)26)21(27)28/h2-6,9-10,14H,7-8,11H2,1H3,(H,24,29)(H,27,28)