1-[[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]carbonylamino]-3-(2-methoxy-4-nitro-phenyl)urea

Systemtic Name: 1-[[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]carbonylamino]-3-(2-methoxy-4-nitro-phenyl)urea Openeye Name: 1-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]-3-(2-methoxy-4-nitro-phenyl)urea CAS Name: 1-[[[2-(1,3-benzodioxol-5-yl)-4-quinolinyl]-oxomethyl]amino]-3-(2-methoxy-4-nitrophenyl)urea IUPAC Name: 1-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]-3-(2-methoxy-4-nitrophenyl)urea Traditional Name: 1-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]-3-(2-methoxy-4-nitro-phenyl)urea Formula: C25H19N5O7 MolecularWeight: 501.44766

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H19N5O7/c1-35-22-11-15(30(33)34)7-8-19(22)27-25(32)29-28-24(31)17-12-20(26-18-5-3-2-4-16(17)18)14-6-9-21-23(10-14)37-13-36-21/h2-12H,13H2,1H3,(H,28,31)(H2,27,29,32)