2-[[6-[(4-chlorophenyl)methylamino]-3-nitro-pyridin-1-ium-2-yl]amino]ethanoate

Systemtic Name: 2-[[6-[(4-chlorophenyl)methylamino]-3-nitro-pyridin-1-ium-2-yl]amino]ethanoate Openeye Name: 2-[[6-[(4-chlorophenyl)methylamino]-3-nitro-pyridin-1-ium-2-yl]amino]acetate CAS Name: 2-[[6-[(4-chlorophenyl)methylamino]-3-nitro-2-pyridin-1-iumyl]amino]acetate IUPAC Name: 2-[[6-[(4-chlorophenyl)methylamino]-3-nitropyridin-1-ium-2-yl]amino]acetate Traditional Name: 2-[[6-[(4-chlorobenzyl)amino]-3-nitro-pyridin-1-ium-2-yl]amino]acetate Formula: C14H13ClN4O4 MolecularWeight: 336.73042

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=[NH+]C(=C(C=C2)[N+](=O)[O-])NCC(=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1CNC2=[NH+]C(=C(C=C2)[N+](=O)[O-])NCC(=O)[O-])Cl

InChI

InChI=1S/C14H13ClN4O4/c15-10-3-1-9(2-4-10)7-16-12-6-5-11(19(22)23)14(18-12)17-8-13(20)21/h1-6H,7-8H2,(H,20,21)(H2,16,17,18)