[[1-(2-azanylpropanoyl)pyrrolidin-2-yl]carbonylamino] 4-nitrobenzoate

Systemtic Name: [[1-(2-azanylpropanoyl)pyrrolidin-2-yl]carbonylamino] 4-nitrobenzoate Openeye Name: [[1-(2-aminopropanoyl)pyrrolidine-2-carbonyl]amino] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [[[1-(2-amino-1-oxopropyl)-2-pyrrolidinyl]-oxomethyl]amino] ester IUPAC Name: [[1-(2-aminopropanoyl)pyrrolidine-2-carbonyl]amino] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1-alanylprolyl)amino] ester Formula: C15H18N4O6 MolecularWeight: 350.32662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1C(=O)NOC(=O)C2=CC=C(C=C2)[N+](=O)[O-])N

Isomeric SMILES

CC(C(=O)N1CCCC1C(=O)NOC(=O)C2=CC=C(C=C2)[N+](=O)[O-])N

InChI

InChI=1S/C15H18N4O6/c1-9(16)14(21)18-8-2-3-12(18)13(20)17-25-15(22)10-4-6-11(7-5-10)19(23)24/h4-7,9,12H,2-3,8,16H2,1H3,(H,17,20)