(E)-N-[2-(3-nitro-2-phenylazanyl-pyridin-4-yl)phenyl]-3-(1-oxidanidylpyridin-1-ium-4-yl)prop-2-enamide

Systemtic Name: (E)-N-[2-(3-nitro-2-phenylazanyl-pyridin-4-yl)phenyl]-3-(1-oxidanidylpyridin-1-ium-4-yl)prop-2-enamide Openeye Name: (E)-N-[2-(2-anilino-3-nitro-4-pyridyl)phenyl]-3-(1-oxidopyridin-1-ium-4-yl)prop-2-enamide CAS Name: (E)-N-[2-(2-anilino-3-nitro-4-pyridinyl)phenyl]-3-(1-oxido-4-pyridin-1-iumyl)-2-propenamide IUPAC Name: (E)-N-[2-(2-anilino-3-nitropyridin-4-yl)phenyl]-3-(1-oxidopyridin-1-ium-4-yl)prop-2-enamide Traditional Name: (E)-N-[2-(2-anilino-3-nitro-4-pyridyl)phenyl]-3-(1-oxidopyridin-1-ium-4-yl)acrylamide Formula: C25H19N5O4 MolecularWeight: 453.44946

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC=CC(=C2[N+](=O)[O-])C3=CC=CC=C3NC(=O)C=CC4=CC=[N+](C=C4)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC=CC(=C2[N+](=O)[O-])C3=CC=CC=C3NC(=O)/C=C/C4=CC=[N+](C=C4)[O-]

InChI

InChI=1S/C25H19N5O4/c31-23(11-10-18-13-16-29(32)17-14-18)28-22-9-5-4-8-20(22)21-12-15-26-25(24(21)30(33)34)27-19-6-2-1-3-7-19/h1-17H,(H,26,27)(H,28,31)/b11-10+