methyl 3-[(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonyl-pyridin-2-yl-amino]propanoate

Systemtic Name: methyl 3-[(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonyl-pyridin-2-yl-amino]propanoate Openeye Name: methyl 3-[(3-nitro-4-pyrrolidin-1-yl-benzoyl)-(2-pyridyl)amino]propanoate CAS Name: 3-[[[3-nitro-4-(1-pyrrolidinyl)phenyl]-oxomethyl]-(2-pyridinyl)amino]propanoic acid methyl ester IUPAC Name: methyl 3-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)-pyridin-2-ylamino]propanoate Traditional Name: 3-[(3-nitro-4-pyrrolidino-benzoyl)-(2-pyridyl)amino]propionic acid methyl ester Formula: C20H22N4O5 MolecularWeight: 398.41248

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN(C1=CC=CC=N1)C(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCN(C1=CC=CC=N1)C(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O5/c1-29-19(25)9-13-23(18-6-2-3-10-21-18)20(26)15-7-8-16(17(14-15)24(27)28)22-11-4-5-12-22/h2-3,6-8,10,14H,4-5,9,11-13H2,1H3