methyl 3-[[4-(morpholin-4-ylmethyl)phenyl]methylcarbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[4-(morpholin-4-ylmethyl)phenyl]methylcarbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[4-(morpholinomethyl)phenyl]methylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[[4-(4-morpholinylmethyl)phenyl]methylamino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[4-(morpholin-4-ylmethyl)phenyl]methylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[[4-(morpholinomethyl)benzyl]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)NCC2=CC=C(C=C2)CN3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NCC2=CC=C(C=C2)CN3CCOCC3)[N+](=O)[O-]

InChI

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