methyl 3-nitro-5-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylcarbamoyl]benzoate

Systemtic Name: methyl 3-nitro-5-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylcarbamoyl]benzoate Openeye Name: methyl 3-nitro-5-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylcarbamoyl]benzoate CAS Name: 3-nitro-5-[oxo-[[4-(1-pyrrolidinylmethyl)phenyl]methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylcarbamoyl]benzoate Traditional Name: 3-nitro-5-[[4-(pyrrolidinomethyl)benzyl]carbamoyl]benzoic acid methyl ester Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NCC2=CC=C(C=C2)CN3CCCC3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NCC2=CC=C(C=C2)CN3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O5/c1-29-21(26)18-10-17(11-19(12-18)24(27)28)20(25)22-13-15-4-6-16(7-5-15)14-23-8-2-3-9-23/h4-7,10-12H,2-3,8-9,13-14H2,1H3,(H,22,25)