[4-(phenylcarbamoyl)phenyl]methyl (E)-3-(5-nitrofuran-2-yl)prop-2-enoate

Systemtic Name: [4-(phenylcarbamoyl)phenyl]methyl (E)-3-(5-nitrofuran-2-yl)prop-2-enoate Openeye Name: [4-(phenylcarbamoyl)phenyl]methyl (E)-3-(5-nitro-2-furyl)prop-2-enoate CAS Name: (E)-3-(5-nitro-2-furanyl)-2-propenoic acid [4-[anilino(oxo)methyl]phenyl]methyl ester IUPAC Name: [4-(phenylcarbamoyl)phenyl]methyl (E)-3-(5-nitrofuran-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-nitro-2-furyl)acrylic acid [4-(phenylcarbamoyl)benzyl] ester Formula: C21H16N2O6 MolecularWeight: 392.36154

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)COC(=O)C=CC3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)COC(=O)/C=C/C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C21H16N2O6/c24-20(13-11-18-10-12-19(29-18)23(26)27)28-14-15-6-8-16(9-7-15)21(25)22-17-4-2-1-3-5-17/h1-13H,14H2,(H,22,25)/b13-11+