3-(cyclopropylamino)-2-[(cyclopropylamino)methyl]-3-(4-nitrophenyl)propanoic acid

Systemtic Name: 3-(cyclopropylamino)-2-[(cyclopropylamino)methyl]-3-(4-nitrophenyl)propanoic acid Openeye Name: 3-(cyclopropylamino)-2-[(cyclopropylamino)methyl]-3-(4-nitrophenyl)propanoic acid CAS Name: 3-(cyclopropylamino)-2-[(cyclopropylamino)methyl]-3-(4-nitrophenyl)propanoic acid IUPAC Name: 3-(cyclopropylamino)-2-[(cyclopropylamino)methyl]-3-(4-nitrophenyl)propanoic acid Traditional Name: 3-(cyclopropylamino)-2-[(cyclopropylamino)methyl]-3-(4-nitrophenyl)propionic acid Formula: C16H21N3O4 MolecularWeight: 319.35564

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NCC(C(C2=CC=C(C=C2)[N+](=O)[O-])NC3CC3)C(=O)O

Isomeric SMILES

C1CC1NCC(C(C2=CC=C(C=C2)[N+](=O)[O-])NC3CC3)C(=O)O

InChI

InChI=1S/C16H21N3O4/c20-16(21)14(9-17-11-3-4-11)15(18-12-5-6-12)10-1-7-13(8-2-10)19(22)23/h1-2,7-8,11-12,14-15,17-18H,3-6,9H2,(H,20,21)