(E)-but-2-enedioic acid; N-methyl-5-nitro-N-pyridin-4-yl-indol-1-amine

Systemtic Name: (E)-but-2-enedioic acid; N-methyl-5-nitro-N-pyridin-4-yl-indol-1-amine Openeye Name: fumaric acid; N-methyl-5-nitro-N-(4-pyridyl)indol-1-amine CAS Name: (E)-2-butenedioic acid; N-methyl-5-nitro-N-pyridin-4-yl-1-indolamine IUPAC Name: (E)-but-2-enedioic acid; N-methyl-5-nitro-N-pyridin-4-ylindol-1-amine Traditional Name: fumaric acid; methyl-(5-nitroindol-1-yl)-(4-pyridyl)amine Formula: C18H16N4O6 MolecularWeight: 384.34284

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=NC=C1)N2C=CC3=C2C=CC(=C3)[N+](=O)[O-].C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C1=CC=NC=C1)N2C=CC3=C2C=CC(=C3)[N+](=O)[O-].C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H12N4O2.C4H4O4/c1-16(12-4-7-15-8-5-12)17-9-6-11-10-13(18(19)20)2-3-14(11)17;5-3(6)1-2-4(7)8/h2-10H,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+