(E)-3-[3-[(5-nitro-2-oxidanylidene-indol-3-yl)amino]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-[(5-nitro-2-oxidanylidene-indol-3-yl)amino]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-[(5-nitro-2-oxo-indol-3-yl)amino]phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-[(5-nitro-2-oxo-3-indolyl)amino]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-[(5-nitro-2-oxoindol-3-yl)amino]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-[(2-keto-5-nitro-indol-3-yl)amino]phenyl]acrylic acid Formula: C17H11N3O5 MolecularWeight: 337.28634

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=C3C=C(C=CC3=NC2=O)[N+](=O)[O-])C=CC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC2=C3C=C(C=CC3=NC2=O)[N+](=O)[O-])/C=C/C(=O)O

InChI

InChI=1S/C17H11N3O5/c21-15(22)7-4-10-2-1-3-11(8-10)18-16-13-9-12(20(24)25)5-6-14(13)19-17(16)23/h1-9H,(H,21,22)(H,18,19,23)/b7-4+