(4-chloranyl-2-nitro-phenyl)methyl N-[1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: (4-chloranyl-2-nitro-phenyl)methyl N-[1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: (4-chloro-2-nitro-phenyl)methyl N-[2-amino-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamate CAS Name: N-[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamic acid (4-chloro-2-nitrophenyl)methyl ester IUPAC Name: (4-chloro-2-nitrophenyl)methyl N-[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate Traditional Name: N-[2-amino-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]carbamic acid (4-chloro-2-nitro-benzyl) ester Formula: C19H17ClN4O5 MolecularWeight: 416.81508

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)N)NC(=O)OCC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)N)NC(=O)OCC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H17ClN4O5/c20-13-6-5-11(17(8-13)24(27)28)10-29-19(26)23-16(18(21)25)7-12-9-22-15-4-2-1-3-14(12)15/h1-6,8-9,16,22H,7,10H2,(H2,21,25)(H,23,26)