4-[methyl-[(1-propanoylpyrrolidin-2-yl)methyl]amino]-3-nitro-benzoic acid

Systemtic Name: 4-[methyl-[(1-propanoylpyrrolidin-2-yl)methyl]amino]-3-nitro-benzoic acid Openeye Name: 4-[methyl-[(1-propanoylpyrrolidin-2-yl)methyl]amino]-3-nitro-benzoic acid CAS Name: 4-[methyl-[[1-(1-oxopropyl)-2-pyrrolidinyl]methyl]amino]-3-nitrobenzoic acid IUPAC Name: 4-[methyl-[(1-propanoylpyrrolidin-2-yl)methyl]amino]-3-nitrobenzoic acid Traditional Name: 4-[methyl-[(1-propionylpyrrolidin-2-yl)methyl]amino]-3-nitro-benzoic acid Formula: C16H21N3O5 MolecularWeight: 335.35504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCCC1CN(C)C2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)N1CCCC1CN(C)C2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H21N3O5/c1-3-15(20)18-8-4-5-12(18)10-17(2)13-7-6-11(16(21)22)9-14(13)19(23)24/h6-7,9,12H,3-5,8,10H2,1-2H3,(H,21,22)