4-[ethoxycarbonyl-[5-(ethoxycarbonylamino)-6-nitro-pyridin-2-yl]amino]butan-2-yl hydrogen carbonate

Systemtic Name: 4-[ethoxycarbonyl-[5-(ethoxycarbonylamino)-6-nitro-pyridin-2-yl]amino]butan-2-yl hydrogen carbonate Openeye Name: [3-[ethoxycarbonyl-[5-(ethoxycarbonylamino)-6-nitro-2-pyridyl]amino]-1-methyl-propyl] hydrogen carbonate CAS Name: carbonic acid 4-[ethoxycarbonyl-[5-(ethoxycarbonylamino)-6-nitro-2-pyridinyl]amino]butan-2-yl ester IUPAC Name: 4-[ethoxycarbonyl-[5-(ethoxycarbonylamino)-6-nitropyridin-2-yl]amino]butan-2-yl hydrogen carbonate Traditional Name: carbonic acid [3-[carbethoxy-[5-(carbethoxyamino)-6-nitro-2-pyridyl]amino]-1-methyl-propyl] ester Formula: C16H22N4O9 MolecularWeight: 414.36728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=C(N=C(C=C1)N(CCC(C)OC(=O)O)C(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)NC1=C(N=C(C=C1)N(CCC(C)OC(=O)O)C(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C16H22N4O9/c1-4-27-14(21)17-11-6-7-12(18-13(11)20(25)26)19(15(22)28-5-2)9-8-10(3)29-16(23)24/h6-7,10H,4-5,8-9H2,1-3H3,(H,17,21)(H,23,24)