ethyl 4-(1,3-benzodioxol-5-yl)-3-[(2-chloranylpyridin-3-yl)carbonylamino]-1-methyl-pyrrole-2-carboxylate

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-yl)-3-[(2-chloranylpyridin-3-yl)carbonylamino]-1-methyl-pyrrole-2-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-yl)-3-[(2-chloropyridine-3-carbonyl)amino]-1-methyl-pyrrole-2-carboxylate CAS Name: 4-(1,3-benzodioxol-5-yl)-3-[[(2-chloro-3-pyridinyl)-oxomethyl]amino]-1-methyl-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-yl)-3-[(2-chloropyridine-3-carbonyl)amino]-1-methylpyrrole-2-carboxylate Traditional Name: 4-(1,3-benzodioxol-5-yl)-3-[(2-chloronicotinoyl)amino]-1-methyl-pyrrole-2-carboxylic acid ethyl ester Formula: C21H18ClN3O5 MolecularWeight: 427.83772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CN1C)C2=CC3=C(C=C2)OCO3)NC(=O)C4=C(N=CC=C4)Cl

Isomeric SMILES

CCOC(=O)C1=C(C(=CN1C)C2=CC3=C(C=C2)OCO3)NC(=O)C4=C(N=CC=C4)Cl

InChI

InChI=1S/C21H18ClN3O5/c1-3-28-21(27)18-17(24-20(26)13-5-4-8-23-19(13)22)14(10-25(18)2)12-6-7-15-16(9-12)30-11-29-15/h4-10H,3,11H2,1-2H3,(H,24,26)