ethyl 3-[[2-(3,4-dihydro-2H-quinolin-1-yl)ethanoylamino]carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[[2-(3,4-dihydro-2H-quinolin-1-yl)ethanoylamino]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[2-(3,4-dihydro-2H-quinolin-1-yl)-1-oxoethyl]hydrazo]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C21H22N4O6 MolecularWeight: 426.42258

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NNC(=O)CN2CCCC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NNC(=O)CN2CCCC3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O6/c1-2-31-21(28)16-10-15(11-17(12-16)25(29)30)20(27)23-22-19(26)13-24-9-5-7-14-6-3-4-8-18(14)24/h3-4,6,8,10-12H,2,5,7,9,13H2,1H3,(H,22,26)(H,23,27)