3-cyanopropyl 4-azanyl-3-nitro-benzoate

Systemtic Name: 3-cyanopropyl 4-azanyl-3-nitro-benzoate Openeye Name: 3-cyanopropyl 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid 3-cyanopropyl ester Formula: C11H11N3O4 MolecularWeight: 249.22274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)OCCCC#N)[N+](=O)[O-])N

Isomeric SMILES

C1=CC(=C(C=C1C(=O)OCCCC#N)[N+](=O)[O-])N

InChI

InChI=1S/C11H11N3O4/c12-5-1-2-6-18-11(15)8-3-4-9(13)10(7-8)14(16)17/h3-4,7H,1-2,6,13H2