methyl 3-[5-[(E)-3-[(2-methyl-3-nitro-phenyl)amino]-3-oxidanylidene-prop-1-enyl]furan-2-yl]propanoate

Systemtic Name: methyl 3-[5-[(E)-3-[(2-methyl-3-nitro-phenyl)amino]-3-oxidanylidene-prop-1-enyl]furan-2-yl]propanoate Openeye Name: methyl 3-[5-[(E)-3-(2-methyl-3-nitro-anilino)-3-oxo-prop-1-enyl]-2-furyl]propanoate CAS Name: 3-[5-[(E)-3-(2-methyl-3-nitroanilino)-3-oxoprop-1-enyl]-2-furanyl]propanoic acid methyl ester IUPAC Name: methyl 3-[5-[(E)-3-(2-methyl-3-nitroanilino)-3-oxoprop-1-enyl]furan-2-yl]propanoate Traditional Name: 3-[5-[(E)-3-keto-3-(2-methyl-3-nitro-anilino)prop-1-enyl]-2-furyl]propionic acid methyl ester Formula: C18H18N2O6 MolecularWeight: 358.34532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O6/c1-12-15(4-3-5-16(12)20(23)24)19-17(21)10-8-13-6-7-14(26-13)9-11-18(22)25-2/h3-8,10H,9,11H2,1-2H3,(H,19,21)/b10-8+