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

Systemtic Name: (Z)-2-[1-azanyl-2-(6-nitro-2,3-dihydroindol-1-yl)ethyl]but-2-enedioate Openeye Name: (Z)-2-[1-amino-2-(6-nitroindolin-1-yl)ethyl]but-2-enedioate CAS Name: (Z)-2-[1-amino-2-(6-nitro-2,3-dihydroindol-1-yl)ethyl]-2-butenedioate IUPAC Name: (Z)-2-[1-amino-2-(6-nitro-2,3-dihydroindol-1-yl)ethyl]but-2-enedioate Traditional Name: (Z)-2-[1-amino-2-(6-nitroindolin-1-yl)ethyl]but-2-enedioate Formula: C14H13N3O6-2 MolecularWeight: 319.26952

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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)/p-2/b10-6-