ethyl 3-[[3-(furan-2-ylmethoxymethyl)phenyl]methylcarbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[[3-(furan-2-ylmethoxymethyl)phenyl]methylcarbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[3-(2-furylmethoxymethyl)phenyl]methylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[[3-(2-furanylmethoxymethyl)phenyl]methylamino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[3-(furan-2-ylmethoxymethyl)phenyl]methylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[[3-(2-furfuryloxymethyl)benzyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C23H22N2O7 MolecularWeight: 438.42998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCC2=CC(=CC=C2)COCC3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCC2=CC(=CC=C2)COCC3=CC=CO3)[N+](=O)[O-]

InChI

InChI=1S/C23H22N2O7/c1-2-31-23(27)19-10-18(11-20(12-19)25(28)29)22(26)24-13-16-5-3-6-17(9-16)14-30-15-21-7-4-8-32-21/h3-12H,2,13-15H2,1H3,(H,24,26)