4-[(2-azanyl-2-oxidanylidene-ethyl)amino]-3-nitro-benzoate

Systemtic Name: 4-[(2-azanyl-2-oxidanylidene-ethyl)amino]-3-nitro-benzoate Openeye Name: 4-[(2-amino-2-oxo-ethyl)amino]-3-nitro-benzoate CAS Name: 4-[(2-amino-2-oxoethyl)amino]-3-nitrobenzoate IUPAC Name: 4-[(2-amino-2-oxoethyl)amino]-3-nitrobenzoate Traditional Name: 4-[(2-amino-2-keto-ethyl)amino]-3-nitro-benzoate Formula: C9H8N3O5- MolecularWeight: 238.17692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9N3O5/c10-8(13)4-11-6-2-1-5(9(14)15)3-7(6)12(16)17/h1-3,11H,4H2,(H2,10,13)(H,14,15)/p-1