ethyl N-[6-azanyl-4-[3-(1,3-benzodioxol-5-yl)butan-2-ylamino]-5-nitro-pyridin-2-yl]carbamate

Systemtic Name: ethyl N-[6-azanyl-4-[3-(1,3-benzodioxol-5-yl)butan-2-ylamino]-5-nitro-pyridin-2-yl]carbamate Openeye Name: ethyl N-[6-amino-4-[[2-(1,3-benzodioxol-5-yl)-1-methyl-propyl]amino]-5-nitro-2-pyridyl]carbamate CAS Name: N-[6-amino-4-[3-(1,3-benzodioxol-5-yl)butan-2-ylamino]-5-nitro-2-pyridinyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[6-amino-4-[3-(1,3-benzodioxol-5-yl)butan-2-ylamino]-5-nitropyridin-2-yl]carbamate Traditional Name: N-[6-amino-4-[[2-(1,3-benzodioxol-5-yl)-1-methyl-propyl]amino]-5-nitro-2-pyridyl]carbamic acid ethyl ester Formula: C19H23N5O6 MolecularWeight: 417.41582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=NC(=C(C(=C1)NC(C)C(C)C2=CC3=C(C=C2)OCO3)[N+](=O)[O-])N

Isomeric SMILES

CCOC(=O)NC1=NC(=C(C(=C1)NC(C)C(C)C2=CC3=C(C=C2)OCO3)[N+](=O)[O-])N

InChI

InChI=1S/C19H23N5O6/c1-4-28-19(25)23-16-8-13(17(24(26)27)18(20)22-16)21-11(3)10(2)12-5-6-14-15(7-12)30-9-29-14/h5-8,10-11H,4,9H2,1-3H3,(H4,20,21,22,23,25)