2,5-dimethyl-1-[4-(5-nitropyridin-1-ium-2-yl)oxyphenyl]pyrrole-3-carbaldehyde

Systemtic Name: 2,5-dimethyl-1-[4-(5-nitropyridin-1-ium-2-yl)oxyphenyl]pyrrole-3-carbaldehyde Openeye Name: 2,5-dimethyl-1-[4-(5-nitropyridin-1-ium-2-yl)oxyphenyl]pyrrole-3-carbaldehyde CAS Name: 2,5-dimethyl-1-[4-[(5-nitro-2-pyridin-1-iumyl)oxy]phenyl]-3-pyrrolecarboxaldehyde IUPAC Name: 2,5-dimethyl-1-[4-(5-nitropyridin-1-ium-2-yl)oxyphenyl]pyrrole-3-carbaldehyde Traditional Name: 2,5-dimethyl-1-[4-(5-nitropyridin-1-ium-2-yl)oxyphenyl]pyrrole-3-carbaldehyde Formula: C18H16N3O4+ MolecularWeight: 338.33734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)OC3=[NH+]C=C(C=C3)[N+](=O)[O-])C)C=O

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)OC3=[NH+]C=C(C=C3)[N+](=O)[O-])C)C=O

InChI

InChI=1S/C18H15N3O4/c1-12-9-14(11-22)13(2)20(12)15-3-6-17(7-4-15)25-18-8-5-16(10-19-18)21(23)24/h3-11H,1-2H3/p+1