1-(2-azanylpropanoyl)-N-[2-[(4-nitrophenyl)carbamoyl]phenyl]pyrrolidine-2-carboxamide

Systemtic Name: 1-(2-azanylpropanoyl)-N-[2-[(4-nitrophenyl)carbamoyl]phenyl]pyrrolidine-2-carboxamide Openeye Name: 1-(2-aminopropanoyl)-N-[2-[(4-nitrophenyl)carbamoyl]phenyl]pyrrolidine-2-carboxamide CAS Name: 1-(2-amino-1-oxopropyl)-N-[2-[(4-nitroanilino)-oxomethyl]phenyl]-2-pyrrolidinecarboxamide IUPAC Name: 1-(2-aminopropanoyl)-N-[2-[(4-nitrophenyl)carbamoyl]phenyl]pyrrolidine-2-carboxamide Traditional Name: 1-alanyl-N-[2-[(4-nitrophenyl)carbamoyl]phenyl]pyrrolidine-2-carboxamide Formula: C21H23N5O5 MolecularWeight: 425.43782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1C(=O)NC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)[N+](=O)[O-])N

Isomeric SMILES

CC(C(=O)N1CCCC1C(=O)NC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)[N+](=O)[O-])N

InChI

InChI=1S/C21H23N5O5/c1-13(22)21(29)25-12-4-7-18(25)20(28)24-17-6-3-2-5-16(17)19(27)23-14-8-10-15(11-9-14)26(30)31/h2-3,5-6,8-11,13,18H,4,7,12,22H2,1H3,(H,23,27)(H,24,28)