methyl 3-[2,3-dihydro-1,4-benzodioxin-6-yl-[(E)-3-phenylprop-2-enyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[2,3-dihydro-1,4-benzodioxin-6-yl-[(E)-3-phenylprop-2-enyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[(E)-cinnamyl]-(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[2,3-dihydro-1,4-benzodioxin-6-yl-[(E)-3-phenylprop-2-enyl]amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[2,3-dihydro-1,4-benzodioxin-6-yl-[(E)-3-phenylprop-2-enyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[(E)-cinnamyl]-(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C26H22N2O7 MolecularWeight: 474.46208

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)N(CC=CC2=CC=CC=C2)C3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)N(C/C=C/C2=CC=CC=C2)C3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

InChI

InChI=1S/C26H22N2O7/c1-33-26(30)20-14-19(15-22(16-20)28(31)32)25(29)27(11-5-8-18-6-3-2-4-7-18)21-9-10-23-24(17-21)35-13-12-34-23/h2-10,14-17H,11-13H2,1H3/b8-5+