[5-(4-ethoxycarbonylphenyl)furan-2-yl]methyl-[2-[(4-nitrophenyl)amino]ethyl]azanium

Systemtic Name: [5-(4-ethoxycarbonylphenyl)furan-2-yl]methyl-[2-[(4-nitrophenyl)amino]ethyl]azanium Openeye Name: [5-(4-ethoxycarbonylphenyl)-2-furyl]methyl-[2-(4-nitroanilino)ethyl]ammonium CAS Name: [5-(4-ethoxycarbonylphenyl)-2-furanyl]methyl-[2-(4-nitroanilino)ethyl]ammonium IUPAC Name: [5-(4-ethoxycarbonylphenyl)furan-2-yl]methyl-[2-(4-nitroanilino)ethyl]azanium Traditional Name: [5-(4-carbethoxyphenyl)-2-furyl]methyl-[2-(4-nitroanilino)ethyl]ammonium Formula: C22H24N3O5+ MolecularWeight: 410.44306

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C[NH2+]CCNC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C[NH2+]CCNC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O5/c1-2-29-22(26)17-5-3-16(4-6-17)21-12-11-20(30-21)15-23-13-14-24-18-7-9-19(10-8-18)25(27)28/h3-12,23-24H,2,13-15H2,1H3/p+1