methyl 3-[methyl-(phenylmethyl)carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[methyl-(phenylmethyl)carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[benzyl(methyl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[methyl-(phenylmethyl)amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[benzyl(methyl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[benzyl(methyl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C17H16N2O5 MolecularWeight: 328.31934

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C17H16N2O5/c1-18(11-12-6-4-3-5-7-12)16(20)13-8-14(17(21)24-2)10-15(9-13)19(22)23/h3-10H,11H2,1-2H3