ethyl 2-nitro-3-[[3-(phenylmethyl)imidazol-3-ium-1-yl]amino]prop-2-enoate

Systemtic Name: ethyl 2-nitro-3-[[3-(phenylmethyl)imidazol-3-ium-1-yl]amino]prop-2-enoate Openeye Name: ethyl 3-[(3-benzylimidazol-3-ium-1-yl)amino]-2-nitro-prop-2-enoate CAS Name: 2-nitro-3-[[3-(phenylmethyl)-1-imidazol-3-iumyl]amino]-2-propenoic acid ethyl ester IUPAC Name: ethyl 3-[(3-benzylimidazol-3-ium-1-yl)amino]-2-nitroprop-2-enoate Traditional Name: 3-[(3-benzylimidazol-3-ium-1-yl)amino]-2-nitro-acrylic acid ethyl ester Formula: C15H17N4O4+ MolecularWeight: 317.31988

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNN1C=C[N+](=C1)CC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(=CNN1C=C[N+](=C1)CC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H16N4O4/c1-2-23-15(20)14(19(21)22)10-16-18-9-8-17(12-18)11-13-6-4-3-5-7-13/h3-10,12H,2,11H2,1H3/p+1