pyridin-4-ylmethyl 4-azanyl-3-nitro-benzoate

Systemtic Name: pyridin-4-ylmethyl 4-azanyl-3-nitro-benzoate Openeye Name: 4-pyridylmethyl 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid pyridin-4-ylmethyl ester IUPAC Name: pyridin-4-ylmethyl 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid 4-pyridylmethyl ester Formula: C13H11N3O4 MolecularWeight: 273.24414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)OCC2=CC=NC=C2)[N+](=O)[O-])N

Isomeric SMILES

C1=CC(=C(C=C1C(=O)OCC2=CC=NC=C2)[N+](=O)[O-])N

InChI

InChI=1S/C13H11N3O4/c14-11-2-1-10(7-12(11)16(18)19)13(17)20-8-9-3-5-15-6-4-9/h1-7H,8,14H2