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

Systemtic Name: [5-(4-methoxycarbonylphenyl)furan-2-yl]methyl-[2-[(4-nitrophenyl)amino]ethyl]azanium Openeye Name: [5-(4-methoxycarbonylphenyl)-2-furyl]methyl-[2-(4-nitroanilino)ethyl]ammonium CAS Name: [5-(4-methoxycarbonylphenyl)-2-furanyl]methyl-[2-(4-nitroanilino)ethyl]ammonium IUPAC Name: [5-(4-methoxycarbonylphenyl)furan-2-yl]methyl-[2-(4-nitroanilino)ethyl]azanium Traditional Name: [5-(4-carbomethoxyphenyl)-2-furyl]methyl-[2-(4-nitroanilino)ethyl]ammonium Formula: C21H22N3O5+ MolecularWeight: 396.41648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O5/c1-28-21(25)16-4-2-15(3-5-16)20-11-10-19(29-20)14-22-12-13-23-17-6-8-18(9-7-17)24(26)27/h2-11,22-23H,12-14H2,1H3/p+1