[4-(4-carboxypent-4-enylamino)phenyl]-ethyl-(4-nitrophenyl)imino-azanium

Systemtic Name: [4-(4-carboxypent-4-enylamino)phenyl]-ethyl-(4-nitrophenyl)imino-azanium Openeye Name: [4-(4-carboxypent-4-enylamino)phenyl]-ethyl-(4-nitrophenyl)imino-ammonium CAS Name: [4-(4-carboxypent-4-enylamino)phenyl]-ethyl-(4-nitrophenyl)iminoammonium IUPAC Name: [4-(4-carboxypent-4-enylamino)phenyl]-ethyl-(4-nitrophenyl)iminoazanium Traditional Name: [4-(4-carboxypent-4-enylamino)phenyl]-ethyl-(4-nitrophenyl)imino-ammonium Formula: C20H23N4O4+ MolecularWeight: 383.42102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+](=NC1=CC=C(C=C1)[N+](=O)[O-])C2=CC=C(C=C2)NCCCC(=C)C(=O)O

Isomeric SMILES

CC[N+](=NC1=CC=C(C=C1)[N+](=O)[O-])C2=CC=C(C=C2)NCCCC(=C)C(=O)O

InChI

InChI=1S/C20H22N4O4/c1-3-23(22-17-8-12-19(13-9-17)24(27)28)18-10-6-16(7-11-18)21-14-4-5-15(2)20(25)26/h6-13H,2-5,14H2,1H3,(H-,21,22,25,26)/p+1