methyl 3-[(2-morpholin-4-yl-2-phenyl-ethyl)carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[(2-morpholin-4-yl-2-phenyl-ethyl)carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(2-morpholino-2-phenyl-ethyl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[2-(4-morpholinyl)-2-phenylethyl]amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(2-morpholin-4-yl-2-phenylethyl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(2-morpholino-2-phenyl-ethyl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NCC(C2=CC=CC=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NCC(C2=CC=CC=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O6/c1-29-21(26)17-11-16(12-18(13-17)24(27)28)20(25)22-14-19(15-5-3-2-4-6-15)23-7-9-30-10-8-23/h2-6,11-13,19H,7-10,14H2,1H3,(H,22,25)