4-(2,5-dimethylpyrrol-1-yl)-N-(furan-2-ylmethyl)-2-nitro-aniline

Systemtic Name: 4-(2,5-dimethylpyrrol-1-yl)-N-(furan-2-ylmethyl)-2-nitro-aniline Openeye Name: 4-(2,5-dimethylpyrrol-1-yl)-N-(2-furylmethyl)-2-nitro-aniline CAS Name: 4-(2,5-dimethyl-1-pyrrolyl)-N-(2-furanylmethyl)-2-nitroaniline IUPAC Name: 4-(2,5-dimethylpyrrol-1-yl)-N-(furan-2-ylmethyl)-2-nitroaniline Traditional Name: [4-(2,5-dimethylpyrrol-1-yl)-2-nitro-phenyl]-(2-furfuryl)amine Formula: C17H17N3O3 MolecularWeight: 311.33518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC(=C(C=C2)NCC3=CC=CO3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(N1C2=CC(=C(C=C2)NCC3=CC=CO3)[N+](=O)[O-])C

InChI

InChI=1S/C17H17N3O3/c1-12-5-6-13(2)19(12)14-7-8-16(17(10-14)20(21)22)18-11-15-4-3-9-23-15/h3-10,18H,11H2,1-2H3