(Z)-2-[1-azanyl-2-(6-nitro-2,3-dihydroindol-1-yl)ethyl]but-2-enedioic acid

Systemtic Name: (Z)-2-[1-azanyl-2-(6-nitro-2,3-dihydroindol-1-yl)ethyl]but-2-enedioic acid Openeye Name: (Z)-2-[1-amino-2-(6-nitroindolin-1-yl)ethyl]but-2-enedioic acid CAS Name: (Z)-2-[1-amino-2-(6-nitro-2,3-dihydroindol-1-yl)ethyl]-2-butenedioic acid IUPAC Name: (Z)-2-[1-amino-2-(6-nitro-2,3-dihydroindol-1-yl)ethyl]but-2-enedioic acid Traditional Name: (Z)-2-[1-amino-2-(6-nitroindolin-1-yl)ethyl]but-2-enedioic acid Formula: C14H15N3O6 MolecularWeight: 321.2854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C1C=CC(=C2)[N+](=O)[O-])CC(C(=CC(=O)O)C(=O)O)N

Isomeric SMILES

C1CN(C2=C1C=CC(=C2)[N+](=O)[O-])CC(/C(=C/C(=O)O)/C(=O)O)N

InChI

InChI=1S/C14H15N3O6/c15-11(10(14(20)21)6-13(18)19)7-16-4-3-8-1-2-9(17(22)23)5-12(8)16/h1-2,5-6,11H,3-4,7,15H2,(H,18,19)(H,20,21)/b10-6-