furan-2-ylmethyl-methyl-[(1S)-2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]azanium

Systemtic Name: furan-2-ylmethyl-methyl-[(1S)-2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]azanium Openeye Name: 2-furylmethyl-methyl-[(1S)-2-(4-methyl-2-nitro-anilino)-2-oxo-1-phenyl-ethyl]ammonium CAS Name: 2-furanylmethyl-methyl-[(1S)-2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl]ammonium IUPAC Name: furan-2-ylmethyl-methyl-[(1S)-2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl]azanium Traditional Name: 2-furfuryl-[(1S)-2-keto-2-(4-methyl-2-nitro-anilino)-1-phenyl-ethyl]-methyl-ammonium Formula: C21H22N3O4+ MolecularWeight: 380.41708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)[NH+](C)CC3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)[NH+](C)CC3=CC=CO3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O4/c1-15-10-11-18(19(13-15)24(26)27)22-21(25)20(16-7-4-3-5-8-16)23(2)14-17-9-6-12-28-17/h3-13,20H,14H2,1-2H3,(H,22,25)/p+1/t20-/m0/s1