3-[4-[(Z)-N-[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]-C-methyl-carbonimidoyl]-5-methyl-furan-2-yl]propanoate

Systemtic Name: 3-[4-[(Z)-N-[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]-C-methyl-carbonimidoyl]-5-methyl-furan-2-yl]propanoate Openeye Name: 3-[4-[(Z)-N-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-C-methyl-carbonimidoyl]-5-methyl-2-furyl]propanoate CAS Name: 3-[4-[(1Z)-1-[[(4-bromo-1H-pyrrol-2-yl)-oxomethyl]hydrazinylidene]ethyl]-5-methyl-2-furanyl]propanoate IUPAC Name: 3-[4-[(Z)-N-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-C-methylcarbonimidoyl]-5-methylfuran-2-yl]propanoate Traditional Name: 3-[4-[(Z)-N-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-C-methyl-carbonimidoyl]-5-methyl-2-furyl]propionate Formula: C15H15BrN3O4- MolecularWeight: 381.2013

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CCC(=O)[O-])C(=NNC(=O)C2=CC(=CN2)Br)C

Isomeric SMILES

CC1=C(C=C(O1)CCC(=O)[O-])/C(=N\NC(=O)C2=CC(=CN2)Br)/C

InChI

InChI=1S/C15H16BrN3O4/c1-8(18-19-15(22)13-5-10(16)7-17-13)12-6-11(23-9(12)2)3-4-14(20)21/h5-7,17H,3-4H2,1-2H3,(H,19,22)(H,20,21)/p-1/b18-8-