furan-2-ylmethyl-[2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-(phenylmethyl)azanium

Systemtic Name: furan-2-ylmethyl-[2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-(phenylmethyl)azanium Openeye Name: benzyl-(2-furylmethyl)-[2-(2-methoxy-4-nitro-anilino)-2-oxo-ethyl]ammonium CAS Name: 2-furanylmethyl-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-(furan-2-ylmethyl)-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]azanium Traditional Name: benzyl-(2-furfuryl)-[2-keto-2-(2-methoxy-4-nitro-anilino)ethyl]ammonium Formula: C21H22N3O5+ MolecularWeight: 396.41648

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C[NH+](CC2=CC=CC=C2)CC3=CC=CO3

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C[NH+](CC2=CC=CC=C2)CC3=CC=CO3

InChI

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