[2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(5-nitrofuran-2-yl)prop-2-enoate

Systemtic Name: [2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(5-nitrofuran-2-yl)prop-2-enoate Openeye Name: [2-(2-bromo-4-methyl-anilino)-2-oxo-ethyl] (E)-3-(5-nitro-2-furyl)prop-2-enoate CAS Name: (E)-3-(5-nitro-2-furanyl)-2-propenoic acid [2-(2-bromo-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-methylanilino)-2-oxoethyl] (E)-3-(5-nitrofuran-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-nitro-2-furyl)acrylic acid [2-(2-bromo-4-methyl-anilino)-2-keto-ethyl] ester Formula: C16H13BrN2O6 MolecularWeight: 409.18822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)COC(=O)C=CC2=CC=C(O2)[N+](=O)[O-])Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)COC(=O)/C=C/C2=CC=C(O2)[N+](=O)[O-])Br

InChI

InChI=1S/C16H13BrN2O6/c1-10-2-5-13(12(17)8-10)18-14(20)9-24-16(21)7-4-11-3-6-15(25-11)19(22)23/h2-8H,9H2,1H3,(H,18,20)/b7-4+