N-[3-(methoxymethyl)-4-[2-(methylamino)ethylamino]quinolin-8-yl]-2-nitro-benzamide

Systemtic Name: N-[3-(methoxymethyl)-4-[2-(methylamino)ethylamino]quinolin-8-yl]-2-nitro-benzamide Openeye Name: N-[3-(methoxymethyl)-4-[2-(methylamino)ethylamino]-8-quinolyl]-2-nitro-benzamide CAS Name: N-[3-(methoxymethyl)-4-[2-(methylamino)ethylamino]-8-quinolinyl]-2-nitrobenzamide IUPAC Name: N-[3-(methoxymethyl)-4-[2-(methylamino)ethylamino]quinolin-8-yl]-2-nitrobenzamide Traditional Name: N-[3-(methoxymethyl)-4-[2-(methylamino)ethylamino]-8-quinolyl]-2-nitro-benzamide Formula: C21H23N5O4 MolecularWeight: 409.43842

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Descriptors Computed from Structure

Canonical SMILES:

CNCCNC1=C2C=CC=C(C2=NC=C1COC)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CNCCNC1=C2C=CC=C(C2=NC=C1COC)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O4/c1-22-10-11-23-19-14(13-30-2)12-24-20-16(19)7-5-8-17(20)25-21(27)15-6-3-4-9-18(15)26(28)29/h3-9,12,22H,10-11,13H2,1-2H3,(H,23,24)(H,25,27)